2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide

C15H23BrN2O — CID 115432721

IUPAC2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-4-15(5-2,10-17)14(19)18-11(3)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyLJXAYETVKUBLDU-NSHDSACASA-N
MW327.27 g/mol
LogP3.39
Rot. Bonds6

About 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide

2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide (PubChem CID 115432721) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide
PubChem CID115432721
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-4-15(5-2,10-17)14(19)18-11(3)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyLJXAYETVKUBLDU-NSHDSACASA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide 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-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]-2-ethylbutanamide
CID 115432411
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-2-methylbutanamide
CID 81359424
2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 117062720
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81360069
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365
2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide
CID 113308977
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81360072
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359028
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide (CID 115432721) is 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide is CCC(CC)(CN)C(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide?
The InChIKey is LJXAYETVKUBLDU-NSHDSACASA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-15(5-2,10-17)14(19)18-11(3)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide?
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide has a molecular weight of 327.27 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 115432721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).