2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide

C15H23ClN2O — CID 65227482

IUPAC2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
SMILESCCC(CN)C(=O)N(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-4-13(9-17)15(19)18(11(2)3)10-12-6-5-7-14(16)8-12/h5-8,11,13H,4,9-10,17H2,1-3H3
InChIKeyYOXFGHYRVQGBEK-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.06
Rot. Bonds6

About 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide

2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide (PubChem CID 65227482) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
PubChem CID65227482
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
SMILESCCC(CN)C(=O)N(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-4-13(9-17)15(19)18(11(2)3)10-12-6-5-7-14(16)8-12/h5-8,11,13H,4,9-10,17H2,1-3H3
InChIKeyYOXFGHYRVQGBEK-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide
CID 60945851
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119723226
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
3-[(3-chlorophenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82327708
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide (CID 65227482) is 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide is CCC(CN)C(=O)N(Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is YOXFGHYRVQGBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-13(9-17)15(19)18(11(2)3)10-12-6-5-7-14(16)8-12/h5-8,11,13H,4,9-10,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide?
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide has a molecular weight of 282.81 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 65227482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).