[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol

C16H23Cl2NO — CID 79134806

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H23Cl2NO/c1-2-11-6-8-16(10-19,9-7-11)15(20)14-12(17)4-3-5-13(14)18/h3-5,11,15,20H,2,6-10,19H2,1H3
InChIKeyFFVATWKBNMSQQF-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.57
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol (PubChem CID 79134806) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
PubChem CID79134806
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H23Cl2NO/c1-2-11-6-8-16(10-19,9-7-11)15(20)14-12(17)4-3-5-13(14)18/h3-5,11,15,20H,2,6-10,19H2,1H3
InChIKeyFFVATWKBNMSQQF-UHFFFAOYSA-N
XLogP4.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol (CID 79134806) is [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol is CCC1CCC(CN)(C(O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol?
The InChIKey is FFVATWKBNMSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-11-6-8-16(10-19,9-7-11)15(20)14-12(17)4-3-5-13(14)18/h3-5,11,15,20H,2,6-10,19H2,1H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol has a molecular weight of 316.27 g/mol, XLogP of 4.57, 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]-(2,6-dichlorophenyl)methanol is sourced from PubChem (CID 79134806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).