4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde

C102H141N7O14 — CID 159941338

IUPAC4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde
SMILESC[C@@H]1CCCN1CCOc1ccc(C=O)cc1.C[C@@H]1CCCN1[C@@H](C)COc1ccc(C=O)cc1.C[C@@H]1CCCN1[C@@H](C)COc1ccc(C=O)cc1.C[C@@H]1CCN([C@@H](C)COc2ccc(C=O)cc2)C1.C[C@H]1CCCN1CCOc1ccc(C=O)cc1.C[C@H]1CCN(CCOc2ccc(C=O)cc2)C1.C[C@H]1CCN([C@@H](C)COc2ccc(C=O)cc2)C1
InChIInChI=1S/4C15H21NO2.3C14H19NO2/c2*1-12-7-8-16(9-12)13(2)11-18-15-5-3-14(10-17)4-6-15;2*1-12-4-3-9-16(12)13(2)11-18-15-7-5-14(10-17)6-8-15;1-12-6-7-15(10-12)8-9-17-14-4-2-13(11-16)3-5-14;2*1-12-3-2-8-15(12)9-10-17-14-6-4-13(11-16)5-7-14/h2*3-6,10,12-13H,7-9,11H2,1-2H3;2*5-8,10,12-13H,3-4,9,11H2,1-2H3;2-5,11-12H,6-10H2,1H3;2*4-7,11-12H,2-3,8-10H2,1H3/t12-,13+;12-,13-;2*12-,13+;3*12-/m1011010/s1
InChIKeyOAXNSVPXJISVES-KMLOWCAQSA-N
MW1689.28 g/mol
LogP17.66
Rot. Bonds35

About 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde

4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde (PubChem CID 159941338) has the molecular formula C102H141N7O14 and a molecular weight of 1689.28 g/mol. Its IUPAC name is 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde
PubChem CID159941338
Molecular FormulaC102H141N7O14
Molecular Weight1689.28 g/mol
Exact Mass1688.05
IUPAC Name4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde
SMILESC[C@@H]1CCCN1CCOc1ccc(C=O)cc1.C[C@@H]1CCCN1[C@@H](C)COc1ccc(C=O)cc1.C[C@@H]1CCCN1[C@@H](C)COc1ccc(C=O)cc1.C[C@@H]1CCN([C@@H](C)COc2ccc(C=O)cc2)C1.C[C@H]1CCCN1CCOc1ccc(C=O)cc1.C[C@H]1CCN(CCOc2ccc(C=O)cc2)C1.C[C@H]1CCN([C@@H](C)COc2ccc(C=O)cc2)C1
InChIInChI=1S/4C15H21NO2.3C14H19NO2/c2*1-12-7-8-16(9-12)13(2)11-18-15-5-3-14(10-17)4-6-15;2*1-12-4-3-9-16(12)13(2)11-18-15-7-5-14(10-17)6-8-15;1-12-6-7-15(10-12)8-9-17-14-4-2-13(11-16)3-5-14;2*1-12-3-2-8-15(12)9-10-17-14-6-4-13(11-16)5-7-14/h2*3-6,10,12-13H,7-9,11H2,1-2H3;2*5-8,10,12-13H,3-4,9,11H2,1-2H3;2-5,11-12H,6-10H2,1H3;2*4-7,11-12H,2-3,8-10H2,1H3/t12-,13+;12-,13-;2*12-,13+;3*12-/m1011010/s1
InChIKeyOAXNSVPXJISVES-KMLOWCAQSA-N
XLogP17.66
TPSA206.78 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001689.28
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-[4-[[2,3,4,5,6-pentakis[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenyl]methoxy]phenyl]methanone
CID 135015217
4-[2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde
CID 145596099
[(2E)-3,7-dimethylocta-2,6-dienyl] 5-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)ethoxy]phenyl]-4-methyl-5-oxo-3-phenylpentanoate;ethyl 5-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)ethoxy]phenyl]-4-methyl-5-oxo-3-phenylpentanoate;pentyl 5-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)ethoxy]phenyl]-4-methyl-5-oxo-3-phenylpentanoate;[(E)-3-phenylprop-2-enyl] 5-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)ethoxy]phenyl]-4-methyl-5-oxo-3-phenylpentanoate
CID 157827410
1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one
CID 158079310
1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidin-2-one;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-pyrrolidin-1-ylpropan-1-one;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one;2-pyrrolidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one
CID 158449458
5-(2,2-Dimethyl-6-methylidenecyclohexyl)-1-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)ethoxy]phenyl]-2,3-dimethylpentane-1,5-dione;1-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)ethoxy]phenyl]-2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)pentane-1,5-dione;1-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)ethoxy]phenyl]-2,3-dimethyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pentane-1,5-dione;1-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)ethoxy]phenyl]-2,3-dimethyl-5-(2,6,6-trimethylcyclohex-3-en-1-yl)pentane-1,5-dione
CID 160753318
tert-butyl N-[2-[4-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]phenoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(4-formylphenoxy)ethyl]-N-methylcarbamate;N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide;methane;3-[[4-[2-(methylamino)ethoxy]phenyl]methyl]pyrrolidine-2,5-dione;pyrrolidine-2,5-dione;hydrochloride
CID 161128996

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde?
The IUPAC name of 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde (CID 159941338) is 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde.
What is the SMILES notation for 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde?
The canonical SMILES for 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde is C[C@@H]1CCCN1CCOc1ccc(C=O)cc1.C[C@@H]1CCCN1[C@@H](C)COc1ccc(C=O)cc1.C[C@@H]1CCCN1[C@@H](C)COc1ccc(C=O)cc1.C[C@@H]1CCN([C@@H](C)COc2ccc(C=O)cc2)C1.C[C@H]1CCCN1CCOc1ccc(C=O)cc1.C[C@H]1CCN(CCOc2ccc(C=O)cc2)C1.C[C@H]1CCN([C@@H](C)COc2ccc(C=O)cc2)C1.
What is the InChIKey of 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde?
The InChIKey is OAXNSVPXJISVES-KMLOWCAQSA-N. The full InChI is InChI=1S/4C15H21NO2.3C14H19NO2/c2*1-12-7-8-16(9-12)13(2)11-18-15-5-3-14(10-17)4-6-15;2*1-12-4-3-9-16(12)13(2)11-18-15-7-5-14(10-17)6-8-15;1-12-6-7-15(10-12)8-9-17-14-4-2-13(11-16)3-5-14;2*1-12-3-2-8-15(12)9-10-17-14-6-4-13(11-16)5-7-14/h2*3-6,10,12-13H,7-9,11H2,1-2H3;2*5-8,10,12-13H,3-4,9,11H2,1-2H3;2-5,11-12H,6-10H2,1H3;2*4-7,11-12H,2-3,8-10H2,1H3/t12-,13+;12-,13-;2*12-,13+;3*12-/m1011010/s1.
What are the key properties of 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde?
4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde has a molecular weight of 1689.28 g/mol, XLogP of 17.66, 35 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]benzaldehyde;bis(4-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propoxy]benzaldehyde);4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde;4-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propoxy]benzaldehyde is sourced from PubChem (CID 159941338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).