3-(cyclohexylmethoxy)-N-propan-2-ylaniline

C16H25NO — CID 68752296

IUPAC3-(cyclohexylmethoxy)-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-13(2)17-15-9-6-10-16(11-15)18-12-14-7-4-3-5-8-14/h6,9-11,13-14,17H,3-5,7-8,12H2,1-2H3
InChIKeyUAIALCRWLLKMHG-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.47
Rot. Bonds5

About 3-(cyclohexylmethoxy)-N-propan-2-ylaniline

3-(cyclohexylmethoxy)-N-propan-2-ylaniline (PubChem CID 68752296) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-N-propan-2-ylaniline
PubChem CID68752296
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(cyclohexylmethoxy)-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-13(2)17-15-9-6-10-16(11-15)18-12-14-7-4-3-5-8-14/h6,9-11,13-14,17H,3-5,7-8,12H2,1-2H3
InChIKeyUAIALCRWLLKMHG-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexylmethoxy)-N-propan-2-ylaniline 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-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
CID 170000859
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
cyclohexylmethoxybenzene
CID 14399287
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
CID 68856997
[3-(cyclohexylmethoxy)phenyl]-trifluoroboranuide
CID 55232578
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-N-propan-2-ylaniline?
The IUPAC name of 3-(cyclohexylmethoxy)-N-propan-2-ylaniline (CID 68752296) is 3-(cyclohexylmethoxy)-N-propan-2-ylaniline.
What is the SMILES notation for 3-(cyclohexylmethoxy)-N-propan-2-ylaniline?
The canonical SMILES for 3-(cyclohexylmethoxy)-N-propan-2-ylaniline is CC(C)Nc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylmethoxy)-N-propan-2-ylaniline?
The InChIKey is UAIALCRWLLKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)17-15-9-6-10-16(11-15)18-12-14-7-4-3-5-8-14/h6,9-11,13-14,17H,3-5,7-8,12H2,1-2H3.
What are the key properties of 3-(cyclohexylmethoxy)-N-propan-2-ylaniline?
3-(cyclohexylmethoxy)-N-propan-2-ylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-N-propan-2-ylaniline is sourced from PubChem (CID 68752296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).