4-cyclohexyloxy-3-phenylmethoxyaniline

C19H23NO2 — CID 164888754

IUPAC4-cyclohexyloxy-3-phenylmethoxyaniline
SMILESNc1ccc(OC2CCCCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C19H23NO2/c20-16-11-12-18(22-17-9-5-2-6-10-17)19(13-16)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14,20H2
InChIKeyIBBWTOROPZUFPX-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.56
Rot. Bonds5

About 4-cyclohexyloxy-3-phenylmethoxyaniline

4-cyclohexyloxy-3-phenylmethoxyaniline (PubChem CID 164888754) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-phenylmethoxyaniline.

Molecular Properties

Compound Name4-cyclohexyloxy-3-phenylmethoxyaniline
PubChem CID164888754
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-cyclohexyloxy-3-phenylmethoxyaniline
SMILESNc1ccc(OC2CCCCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C19H23NO2/c20-16-11-12-18(22-17-9-5-2-6-10-17)19(13-16)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14,20H2
InChIKeyIBBWTOROPZUFPX-UHFFFAOYSA-N
XLogP4.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-cyclohexyloxy-3-phenylmethoxyaniline 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

4-(oxan-4-yloxy)-3-phenylmethoxyaniline
CID 146026850
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
1,2-dicyclohexyloxybenzene
CID 67331328
3-iodo-4-phenylmethoxyaniline;iron
CID 70281064
5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one
CID 154984487
6-cyclohexyloxy-4-phenylmethoxy-1H-indole-2-carboxylic acid
CID 175367557
methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate
CID 59066570
5-amino-2-cyclohexyloxybenzamide
CID 55125066
(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171213011
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-phenylmethoxyaniline?
The IUPAC name of 4-cyclohexyloxy-3-phenylmethoxyaniline (CID 164888754) is 4-cyclohexyloxy-3-phenylmethoxyaniline.
What is the SMILES notation for 4-cyclohexyloxy-3-phenylmethoxyaniline?
The canonical SMILES for 4-cyclohexyloxy-3-phenylmethoxyaniline is Nc1ccc(OC2CCCCC2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-cyclohexyloxy-3-phenylmethoxyaniline?
The InChIKey is IBBWTOROPZUFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c20-16-11-12-18(22-17-9-5-2-6-10-17)19(13-16)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14,20H2.
What are the key properties of 4-cyclohexyloxy-3-phenylmethoxyaniline?
4-cyclohexyloxy-3-phenylmethoxyaniline has a molecular weight of 297.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-phenylmethoxyaniline is sourced from PubChem (CID 164888754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).