6-(4-bromo-3-methylphenyl)hexan-3-amine

C13H20BrN — CID 83936315

IUPAC6-(4-bromo-3-methylphenyl)hexan-3-amine
SMILESCCC(N)CCCc1ccc(Br)c(C)c1
InChIInChI=1S/C13H20BrN/c1-3-12(15)6-4-5-11-7-8-13(14)10(2)9-11/h7-9,12H,3-6,15H2,1-2H3
InChIKeyCZMSVXINYWNMLC-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.82
Rot. Bonds5

About 6-(4-bromo-3-methylphenyl)hexan-3-amine

6-(4-bromo-3-methylphenyl)hexan-3-amine (PubChem CID 83936315) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 6-(4-bromo-3-methylphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(4-bromo-3-methylphenyl)hexan-3-amine
PubChem CID83936315
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name6-(4-bromo-3-methylphenyl)hexan-3-amine
SMILESCCC(N)CCCc1ccc(Br)c(C)c1
InChIInChI=1S/C13H20BrN/c1-3-12(15)6-4-5-11-7-8-13(14)10(2)9-11/h7-9,12H,3-6,15H2,1-2H3
InChIKeyCZMSVXINYWNMLC-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
1-bromo-4-[9-(4-bromo-3-chlorophenyl)nonyl]-2-methylbenzene
CID 144874601
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
3-(4-bromo-3-methylphenyl)-N-methylpropan-1-amine
CID 82293297
1-bromo-4-(2-bromoethyl)-2-methylbenzene
CID 66480318
1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
1-(3-bromophenyl)heptan-4-amine
CID 64504358
6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
CID 83926840
4-(4-aminohexyl)benzonitrile
CID 83927455

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylphenyl)hexan-3-amine?
The IUPAC name of 6-(4-bromo-3-methylphenyl)hexan-3-amine (CID 83936315) is 6-(4-bromo-3-methylphenyl)hexan-3-amine.
What is the SMILES notation for 6-(4-bromo-3-methylphenyl)hexan-3-amine?
The canonical SMILES for 6-(4-bromo-3-methylphenyl)hexan-3-amine is CCC(N)CCCc1ccc(Br)c(C)c1.
What is the InChIKey of 6-(4-bromo-3-methylphenyl)hexan-3-amine?
The InChIKey is CZMSVXINYWNMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-3-12(15)6-4-5-11-7-8-13(14)10(2)9-11/h7-9,12H,3-6,15H2,1-2H3.
What are the key properties of 6-(4-bromo-3-methylphenyl)hexan-3-amine?
6-(4-bromo-3-methylphenyl)hexan-3-amine has a molecular weight of 270.21 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-methylphenyl)hexan-3-amine is sourced from PubChem (CID 83936315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).