[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol

C18H20FNO — CID 110008215

IUPAC[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
SMILESOCc1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C18H20FNO/c19-17-3-1-2-16(10-17)12-20(18-8-9-18)11-14-4-6-15(13-21)7-5-14/h1-7,10,18,21H,8-9,11-13H2
InChIKeyWKGSORKOWFPGPX-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.48
Rot. Bonds6

About [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol

[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol (PubChem CID 110008215) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
PubChem CID110008215
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
SMILESOCc1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C18H20FNO/c19-17-3-1-2-16(10-17)12-20(18-8-9-18)11-14-4-6-15(13-21)7-5-14/h1-7,10,18,21H,8-9,11-13H2
InChIKeyWKGSORKOWFPGPX-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
[4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol
CID 110008967
2-[cyclopropyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008170
N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648928
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine
CID 120750917
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 110898141
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800

Frequently Asked Questions

What is the IUPAC name of [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol (CID 110008215) is [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol is OCc1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1.
What is the InChIKey of [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol?
The InChIKey is WKGSORKOWFPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-17-3-1-2-16(10-17)12-20(18-8-9-18)11-14-4-6-15(13-21)7-5-14/h1-7,10,18,21H,8-9,11-13H2.
What are the key properties of [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol?
[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol has a molecular weight of 285.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 110008215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).