2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide

C15H23ClN2O — CID 107470962

IUPAC2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)8-12(9-17)14(19)18-10-11-6-4-5-7-13(11)16/h4-7,12H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyYBFOBOILCRSXKE-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.97
Rot. Bonds5

About 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide (PubChem CID 107470962) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
PubChem CID107470962
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)8-12(9-17)14(19)18-10-11-6-4-5-7-13(11)16/h4-7,12H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyYBFOBOILCRSXKE-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473834
2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
CID 107472909
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 107472817
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
3-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]benzoic acid
CID 107471779
2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
CID 107472859
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide (CID 107470962) is 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide?
The InChIKey is YBFOBOILCRSXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,3)8-12(9-17)14(19)18-10-11-6-4-5-7-13(11)16/h4-7,12H,8-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107470962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).