2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide

C12H17ClN2O3 — CID 63627273

IUPAC2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNC(C)C(N)=O)c(Cl)c1OC
InChIInChI=1S/C12H17ClN2O3/c1-7(12(14)16)15-6-8-4-5-9(17-2)11(18-3)10(8)13/h4-5,7,15H,6H2,1-3H3,(H2,14,16)
InChIKeyQCWVRVNZTJEHKF-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.32
Rot. Bonds6

About 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide

2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide (PubChem CID 63627273) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
PubChem CID63627273
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNC(C)C(N)=O)c(Cl)c1OC
InChIInChI=1S/C12H17ClN2O3/c1-7(12(14)16)15-6-8-4-5-9(17-2)11(18-3)10(8)13/h4-5,7,15H,6H2,1-3H3,(H2,14,16)
InChIKeyQCWVRVNZTJEHKF-UHFFFAOYSA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide 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

2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]ethyl carbamate
CID 83210615
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
amino 3-(2-chloro-3,4-dimethoxyphenyl)-2-methylpropanoate
CID 174797726
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
CID 81394276
1-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630589
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81388553
2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
CID 43329475
tert-butyl N-[(2-chloro-3,4-dimethoxyphenyl)methylamino]carbamate
CID 107236645
2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
CID 63632739
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
CID 171202030
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethoxymethanamine
CID 82710373
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 119126848

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide?
The IUPAC name of 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide (CID 63627273) is 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide?
The canonical SMILES for 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide is COc1ccc(CNC(C)C(N)=O)c(Cl)c1OC.
What is the InChIKey of 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide?
The InChIKey is QCWVRVNZTJEHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-7(12(14)16)15-6-8-4-5-9(17-2)11(18-3)10(8)13/h4-5,7,15H,6H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide?
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide has a molecular weight of 272.73 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 63627273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).