2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine

C19H31NO2 — CID 68868814

IUPAC2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine
SMILESCCOC1(C(CN(C)C)c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C19H31NO2/c1-5-22-19(13-7-6-8-14-19)18(15-20(2)3)16-9-11-17(21-4)12-10-16/h9-12,18H,5-8,13-15H2,1-4H3
InChIKeyXVVOWGBXVMSWES-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.08
Rot. Bonds7

About 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine

2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine (PubChem CID 68868814) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine
PubChem CID68868814
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine
SMILESCCOC1(C(CN(C)C)c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C19H31NO2/c1-5-22-19(13-7-6-8-14-19)18(15-20(2)3)16-9-11-17(21-4)12-10-16/h9-12,18H,5-8,13-15H2,1-4H3
InChIKeyXVVOWGBXVMSWES-UHFFFAOYSA-N
XLogP4.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine (CID 68868814) is 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine is CCOC1(C(CN(C)C)c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is XVVOWGBXVMSWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-22-19(13-7-6-8-14-19)18(15-20(2)3)16-9-11-17(21-4)12-10-16/h9-12,18H,5-8,13-15H2,1-4H3.
What are the key properties of 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine?
2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 305.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 68868814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).