1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine

C18H29NO2 — CID 116763842

IUPAC1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccccc2OC)NC)CCCCC1
InChIInChI=1S/C18H29NO2/c1-4-21-18(12-8-5-9-13-18)17(19-2)14-15-10-6-7-11-16(15)20-3/h6-7,10-11,17,19H,4-5,8-9,12-14H2,1-3H3
InChIKeyQHXYYVNLODCCGS-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.57
Rot. Bonds7

About 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine

1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 116763842) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
PubChem CID116763842
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccccc2OC)NC)CCCCC1
InChIInChI=1S/C18H29NO2/c1-4-21-18(12-8-5-9-13-18)17(19-2)14-15-10-6-7-11-16(15)20-3/h6-7,10-11,17,19H,4-5,8-9,12-14H2,1-3H3
InChIKeyQHXYYVNLODCCGS-UHFFFAOYSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 116762040
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 116770809
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine (CID 116763842) is 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine is CCOC1(C(Cc2ccccc2OC)NC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is QHXYYVNLODCCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-21-18(12-8-5-9-13-18)17(19-2)14-15-10-6-7-11-16(15)20-3/h6-7,10-11,17,19H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine?
1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine has a molecular weight of 291.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 116763842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).