1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine

C12H15BrClN — CID 117466296

IUPAC1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine
SMILESNC1(c2cc(Br)ccc2Cl)CCCCC1
InChIInChI=1S/C12H15BrClN/c13-9-4-5-11(14)10(8-9)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
InChIKeyYATUTYUDECGXLP-UHFFFAOYSA-N
MW288.62 g/mol
LogP4.22
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine

1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine (PubChem CID 117466296) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine
PubChem CID117466296
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine
SMILESNC1(c2cc(Br)ccc2Cl)CCCCC1
InChIInChI=1S/C12H15BrClN/c13-9-4-5-11(14)10(8-9)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
InChIKeyYATUTYUDECGXLP-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
1-(3-Bromophenyl)cyclohexan-1-amine hydrochloride
CID 68536081
1-(5-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 122360018
1-(3-Bromophenyl)cyclohexan-1-amine
CID 43345661
2-(2-Bromo-5-chlorophenyl)propan-2-amine
CID 83726022
2-(2-Bromo-6-chlorophenyl)propan-2-amine
CID 117374734
(5-Bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine
CID 43378901
(5-Bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43378924
(5-Bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43378930
(5-Bromo-2-chlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43378935
(5-Bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43378951

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine (CID 117466296) is 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine is NC1(c2cc(Br)ccc2Cl)CCCCC1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine?
The InChIKey is YATUTYUDECGXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c13-9-4-5-11(14)10(8-9)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine?
1-(5-bromo-2-chlorophenyl)cyclohexan-1-amine has a molecular weight of 288.62 g/mol, XLogP of 4.22, 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-chlorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 117466296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).