[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol

C16H24ClNO — CID 79135103

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClNO/c1-2-12-7-9-16(11-18,10-8-12)15(19)13-5-3-4-6-14(13)17/h3-6,12,15,19H,2,7-11,18H2,1H3
InChIKeyGFMXQPLPVJIOPX-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.92
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol (PubChem CID 79135103) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
PubChem CID79135103
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClNO/c1-2-12-7-9-16(11-18,10-8-12)15(19)13-5-3-4-6-14(13)17/h3-6,12,15,19H,2,7-11,18H2,1H3
InChIKeyGFMXQPLPVJIOPX-UHFFFAOYSA-N
XLogP3.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol
CID 79971232
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol
CID 79138258
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
CID 79135807
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
CID 79138474
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-difluorophenyl)methanol
CID 79138372
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
CID 79123405
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
CID 79138325
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol
CID 79137694
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-dimethylphenyl)methanol
CID 79138985
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-chloro-6-fluorophenyl)methanol
CID 79135009
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
CID 79138792

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol (CID 79135103) is [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol is CCC1CCC(CN)(C(O)c2ccccc2Cl)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol?
The InChIKey is GFMXQPLPVJIOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-12-7-9-16(11-18,10-8-12)15(19)13-5-3-4-6-14(13)17/h3-6,12,15,19H,2,7-11,18H2,1H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol has a molecular weight of 281.83 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol is sourced from PubChem (CID 79135103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).