1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine

C14H22BrN — CID 115850161

IUPAC1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
SMILESCc1ccc(C(N)CCC(C)(C)C)c(Br)c1
InChIInChI=1S/C14H22BrN/c1-10-5-6-11(12(15)9-10)13(16)7-8-14(2,3)4/h5-6,9,13H,7-8,16H2,1-4H3
InChIKeyDKDHBTRFSYRMES-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.58
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine

1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine (PubChem CID 115850161) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
PubChem CID115850161
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
SMILESCc1ccc(C(N)CCC(C)(C)C)c(Br)c1
InChIInChI=1S/C14H22BrN/c1-10-5-6-11(12(15)9-10)13(16)7-8-14(2,3)4/h5-6,9,13H,7-8,16H2,1-4H3
InChIKeyDKDHBTRFSYRMES-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine 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

(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661
(1R)-1-(2-bromo-4-methylphenyl)butan-1-amine;hydrochloride
CID 171202123
(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171202134
(1R)-1-(2-bromo-4-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202119
1-(2-bromo-4-methylphenyl)pent-4-yn-1-amine
CID 115859575
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
1-(2-bromo-4-methylphenyl)hex-5-en-1-amine
CID 104987112
1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
CID 115850151
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 115849776
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
1-(2-bromo-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 105004288
(3R)-3-amino-3-(2-bromo-4-methylphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247088

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine (CID 115850161) is 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine is Cc1ccc(C(N)CCC(C)(C)C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine?
The InChIKey is DKDHBTRFSYRMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-10-5-6-11(12(15)9-10)13(16)7-8-14(2,3)4/h5-6,9,13H,7-8,16H2,1-4H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine?
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115850161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).