4-(cyclohexylamino)-2-phenylbutan-2-ol

C16H25NO — CID 12512269

IUPAC4-(cyclohexylamino)-2-phenylbutan-2-ol
SMILESCC(O)(CCNC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(18,14-8-4-2-5-9-14)12-13-17-15-10-6-3-7-11-15/h2,4-5,8-9,15,17-18H,3,6-7,10-13H2,1H3
InChIKeyWAQSDLLBJHPXHP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds5

About 4-(cyclohexylamino)-2-phenylbutan-2-ol

4-(cyclohexylamino)-2-phenylbutan-2-ol (PubChem CID 12512269) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-phenylbutan-2-ol
PubChem CID12512269
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(cyclohexylamino)-2-phenylbutan-2-ol
SMILESCC(O)(CCNC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(18,14-8-4-2-5-9-14)12-13-17-15-10-6-3-7-11-15/h2,4-5,8-9,15,17-18H,3,6-7,10-13H2,1H3
InChIKeyWAQSDLLBJHPXHP-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61149751
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
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4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030
N-(3-fluoro-3-methylbutyl)cyclohexanamine
CID 84661119
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 113428863

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-phenylbutan-2-ol?
The IUPAC name of 4-(cyclohexylamino)-2-phenylbutan-2-ol (CID 12512269) is 4-(cyclohexylamino)-2-phenylbutan-2-ol.
What is the SMILES notation for 4-(cyclohexylamino)-2-phenylbutan-2-ol?
The canonical SMILES for 4-(cyclohexylamino)-2-phenylbutan-2-ol is CC(O)(CCNC1CCCCC1)c1ccccc1.
What is the InChIKey of 4-(cyclohexylamino)-2-phenylbutan-2-ol?
The InChIKey is WAQSDLLBJHPXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(18,14-8-4-2-5-9-14)12-13-17-15-10-6-3-7-11-15/h2,4-5,8-9,15,17-18H,3,6-7,10-13H2,1H3.
What are the key properties of 4-(cyclohexylamino)-2-phenylbutan-2-ol?
4-(cyclohexylamino)-2-phenylbutan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-phenylbutan-2-ol is sourced from PubChem (CID 12512269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).