2-(3-phenylpropylamino)cyclohexan-1-ol

C15H23NO — CID 45358268

IUPAC2-(3-phenylpropylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NCCCc1ccccc1
InChIInChI=1S/C15H23NO/c17-15-11-5-4-10-14(15)16-12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14-17H,4-6,9-12H2
InChIKeyGMYOGTOYSGDDNX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.51
Rot. Bonds5

About 2-(3-phenylpropylamino)cyclohexan-1-ol

2-(3-phenylpropylamino)cyclohexan-1-ol (PubChem CID 45358268) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(3-phenylpropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-phenylpropylamino)cyclohexan-1-ol
PubChem CID45358268
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(3-phenylpropylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NCCCc1ccccc1
InChIInChI=1S/C15H23NO/c17-15-11-5-4-10-14(15)16-12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14-17H,4-6,9-12H2
InChIKeyGMYOGTOYSGDDNX-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.51
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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Related Compounds

(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-(3-phenylpropylamino)cyclohexane-1-carbonitrile
CID 62742230
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
CID 140580794
4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
CID 129394205
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylamino)cyclohexan-1-ol?
The IUPAC name of 2-(3-phenylpropylamino)cyclohexan-1-ol (CID 45358268) is 2-(3-phenylpropylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-phenylpropylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(3-phenylpropylamino)cyclohexan-1-ol is OC1CCCCC1NCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropylamino)cyclohexan-1-ol?
The InChIKey is GMYOGTOYSGDDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15-11-5-4-10-14(15)16-12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14-17H,4-6,9-12H2.
What are the key properties of 2-(3-phenylpropylamino)cyclohexan-1-ol?
2-(3-phenylpropylamino)cyclohexan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylamino)cyclohexan-1-ol is sourced from PubChem (CID 45358268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).