1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine

C17H27NO2 — CID 64750217

IUPAC1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCCOc1cccc(CNC)c1OC1CCC(C)CC1
InChIInChI=1S/C17H27NO2/c1-4-19-16-7-5-6-14(12-18-3)17(16)20-15-10-8-13(2)9-11-15/h5-7,13,15,18H,4,8-12H2,1-3H3
InChIKeyJGXWDGNMWBCYNE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds6

About 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine

1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine (PubChem CID 64750217) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
PubChem CID64750217
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCCOc1cccc(CNC)c1OC1CCC(C)CC1
InChIInChI=1S/C17H27NO2/c1-4-19-16-7-5-6-14(12-18-3)17(16)20-15-10-8-13(2)9-11-15/h5-7,13,15,18H,4,8-12H2,1-3H3
InChIKeyJGXWDGNMWBCYNE-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine 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

[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 62290124
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63557933
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine
CID 114619678
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395
2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64748080

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine (CID 64750217) is 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine is CCOc1cccc(CNC)c1OC1CCC(C)CC1.
What is the InChIKey of 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The InChIKey is JGXWDGNMWBCYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-19-16-7-5-6-14(12-18-3)17(16)20-15-10-8-13(2)9-11-15/h5-7,13,15,18H,4,8-12H2,1-3H3.
What are the key properties of 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 64750217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).