3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol

C15H22FNO — CID 113260471

IUPAC3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
SMILESCC(Cc1cccc(F)c1)NC1CCCC(O)C1
InChIInChI=1S/C15H22FNO/c1-11(8-12-4-2-5-13(16)9-12)17-14-6-3-7-15(18)10-14/h2,4-5,9,11,14-15,17-18H,3,6-8,10H2,1H3
InChIKeyGOBPTAIRGMNAGG-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.65
Rot. Bonds4

About 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol

3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol (PubChem CID 113260471) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
PubChem CID113260471
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
SMILESCC(Cc1cccc(F)c1)NC1CCCC(O)C1
InChIInChI=1S/C15H22FNO/c1-11(8-12-4-2-5-13(16)9-12)17-14-6-3-7-15(18)10-14/h2,4-5,9,11,14-15,17-18H,3,6-8,10H2,1H3
InChIKeyGOBPTAIRGMNAGG-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-[1-(3-fluorophenyl)propan-2-yl]-1,2-dimethylpiperidin-4-amine
CID 115723737
N-[1-(3-fluorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 114830841
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977773
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 115708819
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
CID 113352637
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
CID 79459034
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol (CID 113260471) is 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol is CC(Cc1cccc(F)c1)NC1CCCC(O)C1.
What is the InChIKey of 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol?
The InChIKey is GOBPTAIRGMNAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(8-12-4-2-5-13(16)9-12)17-14-6-3-7-15(18)10-14/h2,4-5,9,11,14-15,17-18H,3,6-8,10H2,1H3.
What are the key properties of 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol?
3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol is sourced from PubChem (CID 113260471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).