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

C17H25BrClN — CID 82774393

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
SMILESCCC(NC(C)c1ccc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H25BrClN/c1-3-17(13-7-5-4-6-8-13)20-12(2)15-10-9-14(18)11-16(15)19/h9-13,17,20H,3-8H2,1-2H3
InChIKeyYCIVHBJPBWWPOA-UHFFFAOYSA-N
MW358.75 g/mol
LogP6.11
Rot. Bonds5

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

N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine (PubChem CID 82774393) has the molecular formula C17H25BrClN and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
PubChem CID82774393
Molecular FormulaC17H25BrClN
Molecular Weight358.75 g/mol
Exact Mass357.09
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
SMILESCCC(NC(C)c1ccc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H25BrClN/c1-3-17(13-7-5-4-6-8-13)20-12(2)15-10-9-14(18)11-16(15)19/h9-13,17,20H,3-8H2,1-2H3
InChIKeyYCIVHBJPBWWPOA-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.75
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
1-cyclohexyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propan-1-amine
CID 63479051
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine
CID 82774731
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
N-[(5-bromo-2-chlorophenyl)-cycloheptylmethyl]ethanamine
CID 105027844

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine (CID 82774393) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine is CCC(NC(C)c1ccc(Br)cc1Cl)C1CCCCC1.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine?
The InChIKey is YCIVHBJPBWWPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClN/c1-3-17(13-7-5-4-6-8-13)20-12(2)15-10-9-14(18)11-16(15)19/h9-13,17,20H,3-8H2,1-2H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine has a molecular weight of 358.75 g/mol, XLogP of 6.11, 5 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]-1-cyclohexylpropan-1-amine is sourced from PubChem (CID 82774393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).