1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine

C18H29NO2 — CID 64776692

IUPAC1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
SMILESCCC1CCC(Oc2ccc(CC(C)N)cc2OC)CC1
InChIInChI=1S/C18H29NO2/c1-4-14-5-8-16(9-6-14)21-17-10-7-15(11-13(2)19)12-18(17)20-3/h7,10,12-14,16H,4-6,8-9,11,19H2,1-3H3
InChIKeyAXTWBXFWIMOVTH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.93
Rot. Bonds6

About 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine

1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine (PubChem CID 64776692) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
PubChem CID64776692
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
SMILESCCC1CCC(Oc2ccc(CC(C)N)cc2OC)CC1
InChIInChI=1S/C18H29NO2/c1-4-14-5-8-16(9-6-14)21-17-10-7-15(11-13(2)19)12-18(17)20-3/h7,10,12-14,16H,4-6,8-9,11,19H2,1-3H3
InChIKeyAXTWBXFWIMOVTH-UHFFFAOYSA-N
XLogP3.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine 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-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64738457
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene
CID 64749126
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
CID 64749835
1-[3,5-dibromo-4-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 107739848
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine (CID 64776692) is 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine is CCC1CCC(Oc2ccc(CC(C)N)cc2OC)CC1.
What is the InChIKey of 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine?
The InChIKey is AXTWBXFWIMOVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14-5-8-16(9-6-14)21-17-10-7-15(11-13(2)19)12-18(17)20-3/h7,10,12-14,16H,4-6,8-9,11,19H2,1-3H3.
What are the key properties of 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine?
1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 64776692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).