1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine

C15H21BrClN — CID 115841909

IUPAC1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClN/c1-18-15(9-11-5-3-2-4-6-11)13-8-7-12(16)10-14(13)17/h7-8,10-11,15,18H,2-6,9H2,1H3
InChIKeyQUPRDZXMAYUGSO-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.33
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine

1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine (PubChem CID 115841909) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
PubChem CID115841909
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClN/c1-18-15(9-11-5-3-2-4-6-11)13-8-7-12(16)10-14(13)17/h7-8,10-11,15,18H,2-6,9H2,1H3
InChIKeyQUPRDZXMAYUGSO-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
CID 115842237
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylpropane-1,3-diamine
CID 82776656
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
CID 80531325
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine
CID 82779580

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine (CID 115841909) is 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine is CNC(CC1CCCCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine?
The InChIKey is QUPRDZXMAYUGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-18-15(9-11-5-3-2-4-6-11)13-8-7-12(16)10-14(13)17/h7-8,10-11,15,18H,2-6,9H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine?
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine has a molecular weight of 330.70 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 115841909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).