4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine

C16H25NO — CID 55157069

IUPAC4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
SMILESCC1CCC(N)(CCCOc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-14-8-11-16(17,12-9-14)10-5-13-18-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3
InChIKeyOZTYUTZRAIXKLI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.75
Rot. Bonds5

About 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine

4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine (PubChem CID 55157069) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
PubChem CID55157069
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
SMILESCC1CCC(N)(CCCOc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-14-8-11-16(17,12-9-14)10-5-13-18-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3
InChIKeyOZTYUTZRAIXKLI-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
CID 65393665
3-methyl-1-(3-phenoxypropyl)cyclopentane-1-carbonitrile
CID 65401453
[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine
CID 65051676
1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine
CID 65030424
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
CID 62622533
3-(3-chloro-1-methylcyclopentyl)propoxybenzene
CID 116540356
6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331034
7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
CID 79330747
2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65422682
1-(2-butoxyethyl)-4-methylcyclohexan-1-amine
CID 62620295

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine (CID 55157069) is 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine is CC1CCC(N)(CCCOc2ccccc2)CC1.
What is the InChIKey of 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine?
The InChIKey is OZTYUTZRAIXKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-8-11-16(17,12-9-14)10-5-13-18-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3.
What are the key properties of 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine?
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 55157069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).