4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde

C13H19NO2 — CID 92914884

IUPAC4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde
SMILESC[C@@H](COc1ccc(C=O)cc1)CN(C)C
InChIInChI=1S/C13H19NO2/c1-11(8-14(2)3)10-16-13-6-4-12(9-15)5-7-13/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1
InChIKeyQWMWJJACIDLGKD-LLVKDONJSA-N
MW221.30 g/mol
LogP2.08
Rot. Bonds6

About 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde

4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde (PubChem CID 92914884) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde
PubChem CID92914884
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde
SMILESC[C@@H](COc1ccc(C=O)cc1)CN(C)C
InChIInChI=1S/C13H19NO2/c1-11(8-14(2)3)10-16-13-6-4-12(9-15)5-7-13/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1
InChIKeyQWMWJJACIDLGKD-LLVKDONJSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
4-(2,2,3-trimethylbutoxy)benzaldehyde
CID 166913587
4-(2-hydroxybutoxy)benzaldehyde
CID 60885218
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde
CID 140721041
4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
CID 103189615
4-[3-(diethylamino)-2-methylpropoxy]-3-ethoxybenzaldehyde
CID 82037892
4-[3-[4-[2-[4-[3-(4-formylphenoxy)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]benzaldehyde
CID 100967393
4-(2-hydroxyhexoxy)benzaldehyde
CID 87847240
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[3-(dimethylamino)propoxy]benzaldehyde;pyridine-4-carbaldehyde
CID 158129131

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde?
The IUPAC name of 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde (CID 92914884) is 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde.
What is the SMILES notation for 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde?
The canonical SMILES for 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde is C[C@@H](COc1ccc(C=O)cc1)CN(C)C.
What is the InChIKey of 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde?
The InChIKey is QWMWJJACIDLGKD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(8-14(2)3)10-16-13-6-4-12(9-15)5-7-13/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde?
4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde has a molecular weight of 221.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde is sourced from PubChem (CID 92914884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).