2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol

C18H22FNO2 — CID 111422221

IUPAC2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CNCc2cccc(F)c2)cc1
InChIInChI=1S/C18H22FNO2/c1-13(2)22-17-8-6-15(7-9-17)18(21)12-20-11-14-4-3-5-16(19)10-14/h3-10,13,18,20-21H,11-12H2,1-2H3
InChIKeyQFQJWHIEHYZBBN-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.44
Rot. Bonds7

About 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol

2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 111422221) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID111422221
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CNCc2cccc(F)c2)cc1
InChIInChI=1S/C18H22FNO2/c1-13(2)22-17-8-6-15(7-9-17)18(21)12-20-11-14-4-3-5-16(19)10-14/h3-10,13,18,20-21H,11-12H2,1-2H3
InChIKeyQFQJWHIEHYZBBN-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol 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

2-(3-fluoroanilino)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71968998
2-(3-fluorophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134045512
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
3-[[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]amino]methyl]benzoic acid
CID 122031377
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
CID 63432780
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879
1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 110902096
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111436616
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol (CID 111422221) is 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)CNCc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is QFQJWHIEHYZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-13(2)22-17-8-6-15(7-9-17)18(21)12-20-11-14-4-3-5-16(19)10-14/h3-10,13,18,20-21H,11-12H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 303.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 111422221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).