2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine

C17H27NO2 — CID 62111265

IUPAC2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1OCc1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-11-18-16-9-4-5-10-17(16)20-13-14-7-6-8-15(12-14)19-2/h6-8,12,16-18H,3-5,9-11,13H2,1-2H3
InChIKeyXHLQOULAILGKAU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.52
Rot. Bonds7

About 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine

2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine (PubChem CID 62111265) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
PubChem CID62111265
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1OCc1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-11-18-16-9-4-5-10-17(16)20-13-14-7-6-8-15(12-14)19-2/h6-8,12,16-18H,3-5,9-11,13H2,1-2H3
InChIKeyXHLQOULAILGKAU-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methoxyphenyl)methoxy]-N-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

Related Compounds

2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
CID 82831438
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
2-[(4-chlorophenyl)methoxy]-N-propylcyclopentan-1-amine
CID 65124598
1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene
CID 59459056
[2-[(3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 43428902
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64619129

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine (CID 62111265) is 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1OCc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine?
The InChIKey is XHLQOULAILGKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-11-18-16-9-4-5-10-17(16)20-13-14-7-6-8-15(12-14)19-2/h6-8,12,16-18H,3-5,9-11,13H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine?
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62111265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).