3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

C18H29NO2 — CID 43102546

IUPAC3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1cccc(C(C)NCCCOC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-15(16-8-6-11-18(14-16)20-2)19-12-7-13-21-17-9-4-3-5-10-17/h6,8,11,14-15,17,19H,3-5,7,9-10,12-13H2,1-2H3
InChIKeyVLKWZSQBOKAIAP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds8

About 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 43102546) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID43102546
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1cccc(C(C)NCCCOC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-15(16-8-6-11-18(14-16)20-2)19-12-7-13-21-17-9-4-3-5-10-17/h6,8,11,14-15,17,19H,3-5,7,9-10,12-13H2,1-2H3
InChIKeyVLKWZSQBOKAIAP-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-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

Related Compounds

3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314663
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125
N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871123
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81373836

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (CID 43102546) is 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is COc1cccc(C(C)NCCCOC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is VLKWZSQBOKAIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(16-8-6-11-18(14-16)20-2)19-12-7-13-21-17-9-4-3-5-10-17/h6,8,11,14-15,17,19H,3-5,7,9-10,12-13H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43102546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).