2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide

C14H21BrN2O — CID 113308938

IUPAC2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-14(4-2,10-16)13(18)17-9-11-7-5-6-8-12(11)15/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyBKQMVOANCRKZPR-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.83
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide

2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide (PubChem CID 113308938) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
PubChem CID113308938
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-14(4-2,10-16)13(18)17-9-11-7-5-6-8-12(11)15/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyBKQMVOANCRKZPR-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromophenyl)methylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164842
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309963
2-[2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]phenyl]acetic acid
CID 115432487
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 81490013
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide
CID 115431675
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide (CID 113308938) is 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide is CCC(CC)(CN)C(=O)NCc1ccccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide?
The InChIKey is BKQMVOANCRKZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-14(4-2,10-16)13(18)17-9-11-7-5-6-8-12(11)15/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide?
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 113308938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).