1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine

C18H29NO — CID 116766935

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
SMILESCCOC1(C(N)Cc2ccccc2C)CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-4-20-18(11-9-14(2)10-12-18)17(19)13-16-8-6-5-7-15(16)3/h5-8,14,17H,4,9-13,19H2,1-3H3
InChIKeyLTVGEPGUJROOOK-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.85
Rot. Bonds5

About 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine

1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine (PubChem CID 116766935) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
PubChem CID116766935
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
SMILESCCOC1(C(N)Cc2ccccc2C)CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-4-20-18(11-9-14(2)10-12-18)17(19)13-16-8-6-5-7-15(16)3/h5-8,14,17H,4,9-13,19H2,1-3H3
InChIKeyLTVGEPGUJROOOK-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine 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-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 116767017
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 116766889
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
[2-(2-bromophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277395
2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 107885231
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine
CID 116766932
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 116767103
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine (CID 116766935) is 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine is CCOC1(C(N)Cc2ccccc2C)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is LTVGEPGUJROOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-20-18(11-9-14(2)10-12-18)17(19)13-16-8-6-5-7-15(16)3/h5-8,14,17H,4,9-13,19H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine?
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 116766935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).