[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine

C17H27NO — CID 81010417

IUPAC[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(CCCOc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-14-9-10-16(13-18)15(12-14)6-5-11-19-17-7-3-2-4-8-17/h2-4,7-8,14-16H,5-6,9-13,18H2,1H3
InChIKeyJQDGLUCYOJEDJF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds6

About [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine

[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine (PubChem CID 81010417) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine
PubChem CID81010417
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(CCCOc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-14-9-10-16(13-18)15(12-14)6-5-11-19-17-7-3-2-4-8-17/h2-4,7-8,14-16H,5-6,9-13,18H2,1H3
InChIKeyJQDGLUCYOJEDJF-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine 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-methyl-2-propylcyclohexyl)methanamine
CID 81009866
[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075
[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine
CID 81010748
2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401544
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 81026864
[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
CID 114876398
3-(2-chlorocyclopentyl)propoxybenzene
CID 63461824
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
2-(3-phenoxypropyl)oxirane
CID 23468414
[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
CID 63471491

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine (CID 81010417) is [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine is CC1CCC(CN)C(CCCOc2ccccc2)C1.
What is the InChIKey of [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine?
The InChIKey is JQDGLUCYOJEDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-9-10-16(13-18)15(12-14)6-5-11-19-17-7-3-2-4-8-17/h2-4,7-8,14-16H,5-6,9-13,18H2,1H3.
What are the key properties of [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine?
[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine is sourced from PubChem (CID 81010417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).