5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine

C29H37NO — CID 59617291

IUPAC5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine
SMILESCCCC1CCC(c2ccc(OCC)cc2)CC1N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C29H37NO/c1-4-9-24-14-15-25(22-16-18-26(19-17-22)31-5-2)20-29(24)30-21(3)27-13-8-11-23-10-6-7-12-28(23)27/h6-8,10-13,16-19,21,24-25,29-30H,4-5,9,14-15,20H2,1-3H3/t21-,24?,25?,29?/m1/s1
InChIKeyOEMUXSDQPXZYEZ-XMTJHOKSSA-N
MW415.62 g/mol
LogP7.64
Rot. Bonds8

About 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine

5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine (PubChem CID 59617291) has the molecular formula C29H37NO and a molecular weight of 415.62 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine
PubChem CID59617291
Molecular FormulaC29H37NO
Molecular Weight415.62 g/mol
Exact Mass415.29
IUPAC Name5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine
SMILESCCCC1CCC(c2ccc(OCC)cc2)CC1N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C29H37NO/c1-4-9-24-14-15-25(22-16-18-26(19-17-22)31-5-2)20-29(24)30-21(3)27-13-8-11-23-10-6-7-12-28(23)27/h6-8,10-13,16-19,21,24-25,29-30H,4-5,9,14-15,20H2,1-3H3/t21-,24?,25?,29?/m1/s1
InChIKeyOEMUXSDQPXZYEZ-XMTJHOKSSA-N
XLogP7.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine 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 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine?
The IUPAC name of 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine (CID 59617291) is 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine is CCCC1CCC(c2ccc(OCC)cc2)CC1N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine?
The InChIKey is OEMUXSDQPXZYEZ-XMTJHOKSSA-N. The full InChI is InChI=1S/C29H37NO/c1-4-9-24-14-15-25(22-16-18-26(19-17-22)31-5-2)20-29(24)30-21(3)27-13-8-11-23-10-6-7-12-28(23)27/h6-8,10-13,16-19,21,24-25,29-30H,4-5,9,14-15,20H2,1-3H3/t21-,24?,25?,29?/m1/s1.
What are the key properties of 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine?
5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine has a molecular weight of 415.62 g/mol, XLogP of 7.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine is sourced from PubChem (CID 59617291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).