2-(3-bromophenyl)-6-methylheptan-2-amine

C14H22BrN — CID 83158078

IUPAC2-(3-bromophenyl)-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)(N)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-11(2)6-5-9-14(3,16)12-7-4-8-13(15)10-12/h4,7-8,10-11H,5-6,9,16H2,1-3H3
InChIKeyIQPHTKQSMPFTGK-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.45
Rot. Bonds5

About 2-(3-bromophenyl)-6-methylheptan-2-amine

2-(3-bromophenyl)-6-methylheptan-2-amine (PubChem CID 83158078) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methylheptan-2-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methylheptan-2-amine
PubChem CID83158078
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name2-(3-bromophenyl)-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)(N)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-11(2)6-5-9-14(3,16)12-7-4-8-13(15)10-12/h4,7-8,10-11H,5-6,9,16H2,1-3H3
InChIKeyIQPHTKQSMPFTGK-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-4-(3-bromophenyl)pentan-1-ol
CID 116861781
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine
CID 63192343
4-(3-methylbutoxy)-2-(3-methylphenyl)butan-2-amine
CID 55096441
6-methyl-2-(4-methylphenyl)heptan-2-amine
CID 83157399
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
3-amino-3-(3-bromophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 129071634
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
1-bromo-3-(1,1-difluoro-3-methylbutyl)benzene
CID 116993062
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
1-(3-bromophenyl)-4-methylpentane-1,4-diamine
CID 116934811

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methylheptan-2-amine?
The IUPAC name of 2-(3-bromophenyl)-6-methylheptan-2-amine (CID 83158078) is 2-(3-bromophenyl)-6-methylheptan-2-amine.
What is the SMILES notation for 2-(3-bromophenyl)-6-methylheptan-2-amine?
The canonical SMILES for 2-(3-bromophenyl)-6-methylheptan-2-amine is CC(C)CCCC(C)(N)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-6-methylheptan-2-amine?
The InChIKey is IQPHTKQSMPFTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-11(2)6-5-9-14(3,16)12-7-4-8-13(15)10-12/h4,7-8,10-11H,5-6,9,16H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-6-methylheptan-2-amine?
2-(3-bromophenyl)-6-methylheptan-2-amine has a molecular weight of 284.24 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-methylheptan-2-amine is sourced from PubChem (CID 83158078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).