4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine

C12H16BrClN2 — CID 79741139

IUPAC4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H16BrClN2/c13-8-1-6-11(14)12(7-8)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,16H,2-5,15H2
InChIKeyCBPYJNDRFOXOFJ-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.78
Rot. Bonds2

About 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine

4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine (PubChem CID 79741139) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
PubChem CID79741139
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H16BrClN2/c13-8-1-6-11(14)12(7-8)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,16H,2-5,15H2
InChIKeyCBPYJNDRFOXOFJ-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
CID 79461483
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399
5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
CID 64744650
N-(5-bromo-2-chlorophenyl)thietan-3-amine
CID 130870688
N-(5-bromo-2-chlorophenyl)oxepan-4-amine
CID 65079704
4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide
CID 62913744
4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
CID 79724159
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
N-(5-bromo-2-chlorophenyl)thian-3-amine
CID 62913384
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
N-(5-bromo-2-chlorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 63477729
N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
CID 79949965

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine (CID 79741139) is 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine is NC1CCC(Nc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine?
The InChIKey is CBPYJNDRFOXOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c13-8-1-6-11(14)12(7-8)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,16H,2-5,15H2.
What are the key properties of 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine?
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine has a molecular weight of 303.63 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79741139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).