3-[(1-phenylcyclohexyl)amino]propan-1-ol

C15H23NO — CID 91311523

IUPAC3-[(1-phenylcyclohexyl)amino]propan-1-ol
SMILESOCCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C15H23NO/c17-13-7-12-16-15(10-5-2-6-11-15)14-8-3-1-4-9-14/h1,3-4,8-9,16-17H,2,5-7,10-13H2
InChIKeyZLYHVLOIUFKYBL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.82
Rot. Bonds5

About 3-[(1-phenylcyclohexyl)amino]propan-1-ol

3-[(1-phenylcyclohexyl)amino]propan-1-ol (PubChem CID 91311523) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[(1-phenylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-phenylcyclohexyl)amino]propan-1-ol
PubChem CID91311523
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[(1-phenylcyclohexyl)amino]propan-1-ol
SMILESOCCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C15H23NO/c17-13-7-12-16-15(10-5-2-6-11-15)14-8-3-1-4-9-14/h1,3-4,8-9,16-17H,2,5-7,10-13H2
InChIKeyZLYHVLOIUFKYBL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 3-[(1-phenylcyclohexyl)amino]propan-1-ol (CID 91311523) is 3-[(1-phenylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(1-phenylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 3-[(1-phenylcyclohexyl)amino]propan-1-ol is OCCCNC1(c2ccccc2)CCCCC1.
What is the InChIKey of 3-[(1-phenylcyclohexyl)amino]propan-1-ol?
The InChIKey is ZLYHVLOIUFKYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-13-7-12-16-15(10-5-2-6-11-15)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 3-[(1-phenylcyclohexyl)amino]propan-1-ol?
3-[(1-phenylcyclohexyl)amino]propan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 91311523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).