N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine

C21H28N2O — CID 134696967

IUPACN-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
SMILESCN(CCOCc1ccccc1)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C21H28N2O/c1-22(14-15-24-18-19-8-4-2-5-9-19)16-20-12-13-23(17-20)21-10-6-3-7-11-21/h2-11,20H,12-18H2,1H3
InChIKeyBLDJQANORJLUPL-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.66
Rot. Bonds8

About N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine

N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 134696967) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID134696967
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
SMILESCN(CCOCc1ccccc1)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C21H28N2O/c1-22(14-15-24-18-19-8-4-2-5-9-19)16-20-12-13-23(17-20)21-10-6-3-7-11-21/h2-11,20H,12-18H2,1H3
InChIKeyBLDJQANORJLUPL-UHFFFAOYSA-N
XLogP3.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 131906546
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one
CID 124757557
N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
CID 129398388
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine (CID 134696967) is N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine is CN(CCOCc1ccccc1)CC1CCN(c2ccccc2)C1.
What is the InChIKey of N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is BLDJQANORJLUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-22(14-15-24-18-19-8-4-2-5-9-19)16-20-12-13-23(17-20)21-10-6-3-7-11-21/h2-11,20H,12-18H2,1H3.
What are the key properties of N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine?
N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 324.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 134696967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).