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

C16H24FNO — CID 102612821

IUPAC3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCC(Cc1ccccc1F)NCC1CCCC(O)C1
InChIInChI=1S/C16H24FNO/c1-12(9-14-6-2-3-8-16(14)17)18-11-13-5-4-7-15(19)10-13/h2-3,6,8,12-13,15,18-19H,4-5,7,9-11H2,1H3
InChIKeyINXOVZLEFWJBRO-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.90
Rot. Bonds5

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

3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol (PubChem CID 102612821) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
PubChem CID102612821
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCC(Cc1ccccc1F)NCC1CCCC(O)C1
InChIInChI=1S/C16H24FNO/c1-12(9-14-6-2-3-8-16(14)17)18-11-13-5-4-7-15(19)10-13/h2-3,6,8,12-13,15,18-19H,4-5,7,9-11H2,1H3
InChIKeyINXOVZLEFWJBRO-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 113226908
3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
CID 104862000
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250
N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol (CID 102612821) is 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol is CC(Cc1ccccc1F)NCC1CCCC(O)C1.
What is the InChIKey of 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The InChIKey is INXOVZLEFWJBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(9-14-6-2-3-8-16(14)17)18-11-13-5-4-7-15(19)10-13/h2-3,6,8,12-13,15,18-19H,4-5,7,9-11H2,1H3.
What are the key properties of 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 102612821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).