2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide

C14H21BrN2O — CID 113308965

IUPAC2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-4-14(5-2,9-16)13(18)17-11-7-6-10(3)12(15)8-11/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyDDVWQVQPUGRNFL-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.46
Rot. Bonds5

About 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide

2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide (PubChem CID 113308965) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
PubChem CID113308965
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-4-14(5-2,9-16)13(18)17-11-7-6-10(3)12(15)8-11/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyDDVWQVQPUGRNFL-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylbenzoic acid
CID 115432532
2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
CID 79810570
2-(aminomethyl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 115431722
N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
CID 114291509
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide
CID 82757220
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-hydroxybenzoic acid
CID 115432252
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410
4-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-chlorobenzoic acid
CID 115432438
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
ethyl N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]carbamate
CID 112998523
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
CID 115431812
2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide
CID 115432352

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide (CID 113308965) is 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide?
The InChIKey is DDVWQVQPUGRNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-14(5-2,9-16)13(18)17-11-7-6-10(3)12(15)8-11/h6-8H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide is sourced from PubChem (CID 113308965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).