2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol

C18H29NO2 — CID 79037102

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
SMILESCOCCN(CC(O)c1cc(C)cc(C)c1)C(C)C1CC1
InChIInChI=1S/C18H29NO2/c1-13-9-14(2)11-17(10-13)18(20)12-19(7-8-21-4)15(3)16-5-6-16/h9-11,15-16,18,20H,5-8,12H2,1-4H3
InChIKeyLGEXVTUQRQUWNB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.08
Rot. Bonds8

About 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol

2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol (PubChem CID 79037102) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
PubChem CID79037102
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
SMILESCOCCN(CC(O)c1cc(C)cc(C)c1)C(C)C1CC1
InChIInChI=1S/C18H29NO2/c1-13-9-14(2)11-17(10-13)18(20)12-19(7-8-21-4)15(3)16-5-6-16/h9-11,15-16,18,20H,5-8,12H2,1-4H3
InChIKeyLGEXVTUQRQUWNB-UHFFFAOYSA-N
XLogP3.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol (CID 79037102) is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol is COCCN(CC(O)c1cc(C)cc(C)c1)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol?
The InChIKey is LGEXVTUQRQUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-9-14(2)11-17(10-13)18(20)12-19(7-8-21-4)15(3)16-5-6-16/h9-11,15-16,18,20H,5-8,12H2,1-4H3.
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol?
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 79037102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).