1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol

C18H29NO2 — CID 79125169

IUPAC1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
SMILESCCC1CCCC(CN)(C(C)(O)c2ccc(OC)cc2)C1
InChIInChI=1S/C18H29NO2/c1-4-14-6-5-11-18(12-14,13-19)17(2,20)15-7-9-16(21-3)10-8-15/h7-10,14,20H,4-6,11-13,19H2,1-3H3
InChIKeyOYLDYMHTZXCCKH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.45
Rot. Bonds5

About 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol

1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol (PubChem CID 79125169) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
PubChem CID79125169
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
SMILESCCC1CCCC(CN)(C(C)(O)c2ccc(OC)cc2)C1
InChIInChI=1S/C18H29NO2/c1-4-14-6-5-11-18(12-14,13-19)17(2,20)15-7-9-16(21-3)10-8-15/h7-10,14,20H,4-6,11-13,19H2,1-3H3
InChIKeyOYLDYMHTZXCCKH-UHFFFAOYSA-N
XLogP3.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol (CID 79125169) is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol is CCC1CCCC(CN)(C(C)(O)c2ccc(OC)cc2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is OYLDYMHTZXCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14-6-5-11-18(12-14,13-19)17(2,20)15-7-9-16(21-3)10-8-15/h7-10,14,20H,4-6,11-13,19H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol?
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 79125169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).