[2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine

C20H25NO — CID 43825118

IUPAC[2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine
SMILESNCc1ccccc1-c1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C20H25NO/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h4-6,9-13,19H,1-3,7-8,14-15,21H2
InChIKeyZSTIZELCEZQCTC-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.66
Rot. Bonds5

About [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine

[2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine (PubChem CID 43825118) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine
PubChem CID43825118
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name[2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine
SMILESNCc1ccccc1-c1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C20H25NO/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h4-6,9-13,19H,1-3,7-8,14-15,21H2
InChIKeyZSTIZELCEZQCTC-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine 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 [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine (CID 43825118) is [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine is NCc1ccccc1-c1ccc(COC2CCCCC2)cc1.
What is the InChIKey of [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine?
The InChIKey is ZSTIZELCEZQCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h4-6,9-13,19H,1-3,7-8,14-15,21H2.
What are the key properties of [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine?
[2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine has a molecular weight of 295.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclohexyloxymethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 43825118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).