2-(2-bromophenyl)-3-methylhexan-2-amine

C13H20BrN — CID 107892316

IUPAC2-(2-bromophenyl)-3-methylhexan-2-amine
SMILESCCCC(C)C(C)(N)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-4-7-10(2)13(3,15)11-8-5-6-9-12(11)14/h5-6,8-10H,4,7,15H2,1-3H3
InChIKeyLRAFAOPWPBIRAQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.06
Rot. Bonds4

About 2-(2-bromophenyl)-3-methylhexan-2-amine

2-(2-bromophenyl)-3-methylhexan-2-amine (PubChem CID 107892316) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-methylhexan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-methylhexan-2-amine
PubChem CID107892316
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name2-(2-bromophenyl)-3-methylhexan-2-amine
SMILESCCCC(C)C(C)(N)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-4-7-10(2)13(3,15)11-8-5-6-9-12(11)14/h5-6,8-10H,4,7,15H2,1-3H3
InChIKeyLRAFAOPWPBIRAQ-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-3-methylpentan-2-amine
CID 79444116
3-methyl-2-phenylhexan-2-amine
CID 107892285
2-(2-bromophenyl)-2-(2-methylpentyl)propane-1,3-diol
CID 79446991
2-(2-methoxyphenyl)-3-methylhexan-2-ol
CID 107892512
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
2-(2-bromophenyl)-6-methylheptan-2-ol
CID 83157247
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 55120471
(2S)-2-(2-bromophenyl)but-3-en-2-amine
CID 130691840
2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine
CID 107887186
ethyl 3-(2-bromophenyl)-2-fluoro-3-hydroxybutanoate
CID 79366646
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-methylhexan-2-amine?
The IUPAC name of 2-(2-bromophenyl)-3-methylhexan-2-amine (CID 107892316) is 2-(2-bromophenyl)-3-methylhexan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-methylhexan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-methylhexan-2-amine is CCCC(C)C(C)(N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-methylhexan-2-amine?
The InChIKey is LRAFAOPWPBIRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-7-10(2)13(3,15)11-8-5-6-9-12(11)14/h5-6,8-10H,4,7,15H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-3-methylhexan-2-amine?
2-(2-bromophenyl)-3-methylhexan-2-amine has a molecular weight of 270.21 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-methylhexan-2-amine is sourced from PubChem (CID 107892316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).