1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine

C14H20BrClN2 — CID 66158422

IUPAC1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H20BrClN2/c15-13-7-6-10(16)8-12(13)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2
InChIKeySHWZJEIRQDZKNY-UHFFFAOYSA-N
MW331.69 g/mol
LogP4.02
Rot. Bonds4

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

1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine (PubChem CID 66158422) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
PubChem CID66158422
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H20BrClN2/c15-13-7-6-10(16)8-12(13)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2
InChIKeySHWZJEIRQDZKNY-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
CID 114843249
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
CID 66157058
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide
CID 66158767
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine (CID 66158422) is 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine is NCC(NC1CCCCC1)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine?
The InChIKey is SHWZJEIRQDZKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c15-13-7-6-10(16)8-12(13)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5,9,17H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine?
1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine has a molecular weight of 331.69 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 66158422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).