1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine

C18H29NO2 — CID 64734927

IUPAC1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CC(C)CC(C)C2)c(OC)c1
InChIInChI=1S/C18H29NO2/c1-12-8-13(2)10-16(9-12)21-17-7-6-15(14(3)19-4)11-18(17)20-5/h6-7,11-14,16,19H,8-10H2,1-5H3
InChIKeyKNRXMZNUGCQVTG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.18
Rot. Bonds5

About 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine

1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine (PubChem CID 64734927) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine
PubChem CID64734927
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CC(C)CC(C)C2)c(OC)c1
InChIInChI=1S/C18H29NO2/c1-12-8-13(2)10-16(9-12)21-17-7-6-15(14(3)19-4)11-18(17)20-5/h6-7,11-14,16,19H,8-10H2,1-5H3
InChIKeyKNRXMZNUGCQVTG-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
4-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzonitrile
CID 64734756
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317684
4-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzenecarbothioamide
CID 64737082
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892503
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
[(3,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105192235
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
CID 115892491

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine (CID 64734927) is 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine is CNC(C)c1ccc(OC2CC(C)CC(C)C2)c(OC)c1.
What is the InChIKey of 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine?
The InChIKey is KNRXMZNUGCQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-8-13(2)10-16(9-12)21-17-7-6-15(14(3)19-4)11-18(17)20-5/h6-7,11-14,16,19H,8-10H2,1-5H3.
What are the key properties of 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine?
1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylcyclohexyl)oxy-3-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 64734927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).