2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide

C13H19ClN2O3 — CID 65225390

IUPAC2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide
SMILESCCC(CN)C(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-4-8(7-15)13(17)16-10-6-12(19-3)11(18-2)5-9(10)14/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyXUDQISDRZIBWHH-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.28
Rot. Bonds6

About 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide

2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide (PubChem CID 65225390) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide
PubChem CID65225390
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide
SMILESCCC(CN)C(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-4-8(7-15)13(17)16-10-6-12(19-3)11(18-2)5-9(10)14/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyXUDQISDRZIBWHH-UHFFFAOYSA-N
XLogP2.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
2-(aminomethyl)-N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 65224990
2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
CID 115186809
4-[2-(aminomethyl)butanoylamino]-3-chlorobenzoic acid
CID 65228370
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
4-[(3-amino-2-methoxypropanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 106112325
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
2-(aminomethyl)-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 65225878
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
4-[(2-amino-3-methylpentanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 61161027
2-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]butanamide
CID 65225006

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide (CID 65225390) is 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide is CCC(CN)C(=O)Nc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide?
The InChIKey is XUDQISDRZIBWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-4-8(7-15)13(17)16-10-6-12(19-3)11(18-2)5-9(10)14/h5-6,8H,4,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide?
2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide has a molecular weight of 286.76 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide is sourced from PubChem (CID 65225390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).