1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine

C14H20BrN — CID 117453302

IUPAC1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(Br)cc(C2(N)CCCCC2)c1C
InChIInChI=1S/C14H20BrN/c1-10-8-12(15)9-13(11(10)2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyKBJQXJWYFNWBSA-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.18
Rot. Bonds1

About 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine

1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine (PubChem CID 117453302) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
PubChem CID117453302
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(Br)cc(C2(N)CCCCC2)c1C
InChIInChI=1S/C14H20BrN/c1-10-8-12(15)9-13(11(10)2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyKBJQXJWYFNWBSA-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
3-(1-aminocyclohexyl)-4,5-dimethylbenzonitrile
CID 117329243
1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117343770
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
CID 84813037
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
1-(5-bromo-2-ethylphenyl)cyclohexan-1-amine
CID 84812388
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine (CID 117453302) is 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine is Cc1cc(Br)cc(C2(N)CCCCC2)c1C.
What is the InChIKey of 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine?
The InChIKey is KBJQXJWYFNWBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-8-12(15)9-13(11(10)2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine?
1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117453302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).