1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol

C16H24FNO — CID 114871638

IUPAC1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1(O)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-2-15(13-7-6-8-14(17)11-13)18-12-16(19)9-4-3-5-10-16/h6-8,11,15,18-19H,2-5,9-10,12H2,1H3
InChIKeyKPBNFBVAYKKUTL-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.56
Rot. Bonds5

About 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol

1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 114871638) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID114871638
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1(O)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-2-15(13-7-6-8-14(17)11-13)18-12-16(19)9-4-3-5-10-16/h6-8,11,15,18-19H,2-5,9-10,12H2,1H3
InChIKeyKPBNFBVAYKKUTL-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
CID 114871723
1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 65106925
1-[[1-(3-bromophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115199
1-[[1-(3-chlorophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115735
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
1-[[1-(furan-2-yl)propylamino]methyl]cyclohexan-1-ol
CID 65107011
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol (CID 114871638) is 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1(O)CCCCC1)c1cccc(F)c1.
What is the InChIKey of 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is KPBNFBVAYKKUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-15(13-7-6-8-14(17)11-13)18-12-16(19)9-4-3-5-10-16/h6-8,11,15,18-19H,2-5,9-10,12H2,1H3.
What are the key properties of 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol?
1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114871638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).