4-[(4-phenylcyclohexyl)amino]butan-1-ol

C16H25NO — CID 106841006

IUPAC4-[(4-phenylcyclohexyl)amino]butan-1-ol
SMILESOCCCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H25NO/c18-13-5-4-12-17-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2
InChIKeyQEGRJZLDFWGFTP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds6

About 4-[(4-phenylcyclohexyl)amino]butan-1-ol

4-[(4-phenylcyclohexyl)amino]butan-1-ol (PubChem CID 106841006) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[(4-phenylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-phenylcyclohexyl)amino]butan-1-ol
PubChem CID106841006
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[(4-phenylcyclohexyl)amino]butan-1-ol
SMILESOCCCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H25NO/c18-13-5-4-12-17-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2
InChIKeyQEGRJZLDFWGFTP-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
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

3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638
N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
CID 103779816
2-[(4-phenylcyclohexyl)amino]ethylurea
CID 83111311
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
CID 63824060
4-[(2-phenylcyclopentyl)amino]butan-1-ol
CID 166226352
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 4-[(4-phenylcyclohexyl)amino]butan-1-ol (CID 106841006) is 4-[(4-phenylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(4-phenylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 4-[(4-phenylcyclohexyl)amino]butan-1-ol is OCCCCNC1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-[(4-phenylcyclohexyl)amino]butan-1-ol?
The InChIKey is QEGRJZLDFWGFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-13-5-4-12-17-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2.
What are the key properties of 4-[(4-phenylcyclohexyl)amino]butan-1-ol?
4-[(4-phenylcyclohexyl)amino]butan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 106841006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).