2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride

C14H22BrClN2O — CID 119781003

IUPAC2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1ccc(Br)cc1C.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-4-7-14(3,16)13(18)17-9-11-5-6-12(15)8-10(11)2;/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18);1H
InChIKeyCTNFJZKKKSTHCC-UHFFFAOYSA-N
MW349.70 g/mol
LogP3.31
Rot. Bonds5

About 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride

2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride (PubChem CID 119781003) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride
PubChem CID119781003
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC Name2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1ccc(Br)cc1C.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c1-4-7-14(3,16)13(18)17-9-11-5-6-12(15)8-10(11)2;/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18);1H
InChIKeyCTNFJZKKKSTHCC-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62880973
2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide
CID 119811650
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005
4-[(4-bromo-2-methylphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122127085
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide
CID 54928247
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride (CID 119781003) is 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCc1ccc(Br)cc1C.Cl.
What is the InChIKey of 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride?
The InChIKey is CTNFJZKKKSTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O.ClH/c1-4-7-14(3,16)13(18)17-9-11-5-6-12(15)8-10(11)2;/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119781003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).