2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide

C15H23ClN2O — CID 65225138

IUPAC2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
SMILESCCC(NC(=O)C(CN)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-4-14(11-5-7-12(16)8-6-11)18-15(19)13(9-17)10(2)3/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19)
InChIKeyJWJOYHNKRKKAKD-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.14
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide

2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide (PubChem CID 65225138) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
PubChem CID65225138
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
SMILESCCC(NC(=O)C(CN)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-4-14(11-5-7-12(16)8-6-11)18-15(19)13(9-17)10(2)3/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19)
InChIKeyJWJOYHNKRKKAKD-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
CID 65224708
5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide
CID 104683907
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
(3S)-3-amino-4-[[(2R)-1-[[(1S)-1-(4-chlorophenyl)propyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 22883019
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354622
2-(aminomethyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354281
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
CID 166291370

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide (CID 65225138) is 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide is CCC(NC(=O)C(CN)C(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide?
The InChIKey is JWJOYHNKRKKAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-14(11-5-7-12(16)8-6-11)18-15(19)13(9-17)10(2)3/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide?
2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide has a molecular weight of 282.81 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide is sourced from PubChem (CID 65225138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).