1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine

C12H17BrClN — CID 103947027

IUPAC1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H17BrClN/c1-8(2)3-6-12(15)10-5-4-9(14)7-11(10)13/h4-5,7-8,12H,3,6,15H2,1-2H3
InChIKeyOSPSSWAJDXKOEB-UHFFFAOYSA-N
MW290.63 g/mol
LogP4.54
Rot. Bonds4

About 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine

1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine (PubChem CID 103947027) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
PubChem CID103947027
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H17BrClN/c1-8(2)3-6-12(15)10-5-4-9(14)7-11(10)13/h4-5,7-8,12H,3,6,15H2,1-2H3
InChIKeyOSPSSWAJDXKOEB-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
(1S)-1-(2-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171223334
(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
CID 131362641
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133
4-amino-4-(2-bromo-4-chlorophenyl)butanoic acid
CID 117472459
(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride
CID 171203790
1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
CID 107994199
(1S)-1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 130783678
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
(1R)-1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 131092271
1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 103692971

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine (CID 103947027) is 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine is CC(C)CCC(N)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine?
The InChIKey is OSPSSWAJDXKOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN/c1-8(2)3-6-12(15)10-5-4-9(14)7-11(10)13/h4-5,7-8,12H,3,6,15H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine?
1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine has a molecular weight of 290.63 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 103947027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).