2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide

C12H17BrN2O — CID 65226098

IUPAC2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-8(2)11(7-14)12(16)15-10-5-3-4-9(13)6-10/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)
InChIKeyYRUIKZKUTOTLBI-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.62
Rot. Bonds4

About 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide

2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide (PubChem CID 65226098) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
PubChem CID65226098
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-8(2)11(7-14)12(16)15-10-5-3-4-9(13)6-10/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)
InChIKeyYRUIKZKUTOTLBI-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847
4-amino-5-(3-bromoanilino)-5-oxopentanoic acid
CID 64895596
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide
CID 65225971
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide (CID 65226098) is 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide is CC(C)C(CN)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide?
The InChIKey is YRUIKZKUTOTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(2)11(7-14)12(16)15-10-5-3-4-9(13)6-10/h3-6,8,11H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide?
2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide is sourced from PubChem (CID 65226098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).