[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol

C14H22ClNOS — CID 79137694

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H22ClNOS/c1-2-10-5-7-14(9-16,8-6-10)13(17)11-3-4-12(15)18-11/h3-4,10,13,17H,2,5-9,16H2,1H3
InChIKeySPOVPBAYDNCHMB-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.98
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol (PubChem CID 79137694) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol
PubChem CID79137694
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H22ClNOS/c1-2-10-5-7-14(9-16,8-6-10)13(17)11-3-4-12(15)18-11/h3-4,10,13,17H,2,5-9,16H2,1H3
InChIKeySPOVPBAYDNCHMB-UHFFFAOYSA-N
XLogP3.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
CID 79137693
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845379
[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138820
[1-(aminomethyl)-3-ethylcyclopentyl]-(5-ethylthiophen-2-yl)methanol
CID 79137906
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
CID 79123405
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
CID 79135103
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
CID 79138792
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
CID 79134973
[1-(aminomethyl)-4-ethylcyclohexyl]-(3-chloro-5-fluorophenyl)methanol
CID 114455039
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
CID 79135807
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol
CID 79138645

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol (CID 79137694) is [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol is CCC1CCC(CN)(C(O)c2ccc(Cl)s2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol?
The InChIKey is SPOVPBAYDNCHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-2-10-5-7-14(9-16,8-6-10)13(17)11-3-4-12(15)18-11/h3-4,10,13,17H,2,5-9,16H2,1H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol has a molecular weight of 287.86 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 79137694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).