4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine

C14H20BrClN2 — CID 82774115

IUPAC4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H20BrClN2/c1-9(13-7-2-10(15)8-14(13)16)18-12-5-3-11(17)4-6-12/h2,7-9,11-12,18H,3-6,17H2,1H3
InChIKeyVFUIZDMJAGEQBA-UHFFFAOYSA-N
MW331.69 g/mol
LogP4.02
Rot. Bonds3

About 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine

4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 82774115) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID82774115
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H20BrClN2/c1-9(13-7-2-10(15)8-14(13)16)18-12-5-3-11(17)4-6-12/h2,7-9,11-12,18H,3-6,17H2,1H3
InChIKeyVFUIZDMJAGEQBA-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine
CID 82774731
3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 82774818
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 82774176
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 83068982
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine (CID 82774115) is 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine is CC(NC1CCC(N)CC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is VFUIZDMJAGEQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-9(13-7-2-10(15)8-14(13)16)18-12-5-3-11(17)4-6-12/h2,7-9,11-12,18H,3-6,17H2,1H3.
What are the key properties of 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine?
4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 331.69 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 82774115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).