[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol

C16H24ClNO — CID 79985726

IUPAC[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-13(14-7-3-4-8-15(14)17)18-11-16(12-19)9-5-2-6-10-16/h3-4,7-8,13,18-19H,2,5-6,9-12H2,1H3
InChIKeyGEEYDRXUZAOHEU-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.93
Rot. Bonds5

About [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol

[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 79985726) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID79985726
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-13(14-7-3-4-8-15(14)17)18-11-16(12-19)9-5-2-6-10-16/h3-4,7-8,13,18-19H,2,5-6,9-12H2,1H3
InChIKeyGEEYDRXUZAOHEU-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103924886
3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270611
1-chloro-N-[[1-[[[chloro-(2-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-(2-chlorophenyl)methanamine;dihydrochloride
CID 87641780
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
CID 115358847
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol (CID 79985726) is [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol is CC(NCC1(CO)CCCCC1)c1ccccc1Cl.
What is the InChIKey of [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is GEEYDRXUZAOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-13(14-7-3-4-8-15(14)17)18-11-16(12-19)9-5-2-6-10-16/h3-4,7-8,13,18-19H,2,5-6,9-12H2,1H3.
What are the key properties of [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 281.83 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 79985726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).