(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde

C10H13NO2 — CID 135349106

IUPAC(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde
SMILESCN[C@H](C=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO2/c1-11-10(7-12)8-3-5-9(13-2)6-4-8/h3-7,10-11H,1-2H3/t10-/m1/s1
InChIKeyXAWQNRRWCPXQLL-SNVBAGLBSA-N
MW179.22 g/mol
LogP1.15
Rot. Bonds4

About (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde

(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde (PubChem CID 135349106) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde
PubChem CID135349106
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde
SMILESCN[C@H](C=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO2/c1-11-10(7-12)8-3-5-9(13-2)6-4-8/h3-7,10-11H,1-2H3/t10-/m1/s1
InChIKeyXAWQNRRWCPXQLL-SNVBAGLBSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde 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

[[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea
CID 90791303
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
2-(methylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116954169
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563622
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde
CID 86668853
2-(4-methoxyphenyl)-3-oxopropanenitrile
CID 10866844
2-(4-methoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 82470540
1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481665
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde (CID 135349106) is (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde is CN[C@H](C=O)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde?
The InChIKey is XAWQNRRWCPXQLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-10(7-12)8-3-5-9(13-2)6-4-8/h3-7,10-11H,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde?
(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde has a molecular weight of 179.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde is sourced from PubChem (CID 135349106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).