1-(3-phenylpropylamino)cyclohexan-1-ol

C15H23NO — CID 141002398

IUPAC1-(3-phenylpropylamino)cyclohexan-1-ol
SMILESOC1(NCCCc2ccccc2)CCCCC1
InChIInChI=1S/C15H23NO/c17-15(11-5-2-6-12-15)16-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,16-17H,2,5-7,10-13H2
InChIKeyFLRCJHLGWUVYLF-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.86
Rot. Bonds5

About 1-(3-phenylpropylamino)cyclohexan-1-ol

1-(3-phenylpropylamino)cyclohexan-1-ol (PubChem CID 141002398) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3-phenylpropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-phenylpropylamino)cyclohexan-1-ol
PubChem CID141002398
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3-phenylpropylamino)cyclohexan-1-ol
SMILESOC1(NCCCc2ccccc2)CCCCC1
InChIInChI=1S/C15H23NO/c17-15(11-5-2-6-12-15)16-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,16-17H,2,5-7,10-13H2
InChIKeyFLRCJHLGWUVYLF-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylethylamino)cyclopentan-1-ol
CID 67750997
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
CID 111332854
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
1-(5-phenylpent-1-ynyl)cyclohexan-1-ol
CID 24938297
N-(3-phenylpropyl)hydroxylamine;hydrobromide
CID 175175085
N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide
CID 110008529
1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol
CID 56984484
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-[1-(3-phenylpropyl)cyclohexyl]acetamide
CID 143104770

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropylamino)cyclohexan-1-ol?
The IUPAC name of 1-(3-phenylpropylamino)cyclohexan-1-ol (CID 141002398) is 1-(3-phenylpropylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-phenylpropylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(3-phenylpropylamino)cyclohexan-1-ol is OC1(NCCCc2ccccc2)CCCCC1.
What is the InChIKey of 1-(3-phenylpropylamino)cyclohexan-1-ol?
The InChIKey is FLRCJHLGWUVYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15(11-5-2-6-12-15)16-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,16-17H,2,5-7,10-13H2.
What are the key properties of 1-(3-phenylpropylamino)cyclohexan-1-ol?
1-(3-phenylpropylamino)cyclohexan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropylamino)cyclohexan-1-ol is sourced from PubChem (CID 141002398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).