N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine

C16H23BrClN — CID 82774731

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H23BrClN/c1-3-12-4-7-14(8-5-12)19-11(2)15-9-6-13(17)10-16(15)18/h6,9-12,14,19H,3-5,7-8H2,1-2H3
InChIKeyHESNKHOQXGBOFE-UHFFFAOYSA-N
MW344.72 g/mol
LogP5.72
Rot. Bonds4

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine

N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine (PubChem CID 82774731) has the molecular formula C16H23BrClN and a molecular weight of 344.72 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine
PubChem CID82774731
Molecular FormulaC16H23BrClN
Molecular Weight344.72 g/mol
Exact Mass343.07
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H23BrClN/c1-3-12-4-7-14(8-5-12)19-11(2)15-9-6-13(17)10-16(15)18/h6,9-12,14,19H,3-5,7-8H2,1-2H3
InChIKeyHESNKHOQXGBOFE-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.72
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 82774115
3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 82774818
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
CID 82774393
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
CID 61466696
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine (CID 82774731) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NC(C)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine?
The InChIKey is HESNKHOQXGBOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN/c1-3-12-4-7-14(8-5-12)19-11(2)15-9-6-13(17)10-16(15)18/h6,9-12,14,19H,3-5,7-8H2,1-2H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine has a molecular weight of 344.72 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 82774731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).