2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide

C12H18N2O3 — CID 62097179

IUPAC2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(CN)Cc1ccc(OC)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-14-12(16)9(7-13)5-8-3-4-11(17-2)10(15)6-8/h3-4,6,9,15H,5,7,13H2,1-2H3,(H,14,16)
InChIKeyLGNTXCDNSGZBGI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.26
Rot. Bonds5

About 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide

2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide (PubChem CID 62097179) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
PubChem CID62097179
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(CN)Cc1ccc(OC)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-14-12(16)9(7-13)5-8-3-4-11(17-2)10(15)6-8/h3-4,6,9,15H,5,7,13H2,1-2H3,(H,14,16)
InChIKeyLGNTXCDNSGZBGI-UHFFFAOYSA-N
XLogP0.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316
2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide
CID 62082772
2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide
CID 62096110
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 62097345
2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 62131885
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 65096529
2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
diethyl 2-[(3-hydroxy-4-methoxyphenyl)methyl]propanedioate
CID 59114437
2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 62095937
5-(aminomethyl)-2-methoxyphenol
CID 1132998
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide (CID 62097179) is 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide is CNC(=O)C(CN)Cc1ccc(OC)c(O)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is LGNTXCDNSGZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14-12(16)9(7-13)5-8-3-4-11(17-2)10(15)6-8/h3-4,6,9,15H,5,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide?
2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 62097179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).