2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol

C18H22FNO — CID 82316019

IUPAC2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-2-3-14-4-8-16(9-5-14)18(21)13-20-12-15-6-10-17(19)11-7-15/h4-11,18,20-21H,2-3,12-13H2,1H3
InChIKeyOAGFLOGCQJFTCI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.60
Rot. Bonds7

About 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol

2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol (PubChem CID 82316019) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
PubChem CID82316019
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-2-3-14-4-8-16(9-5-14)18(21)13-20-12-15-6-10-17(19)11-7-15/h4-11,18,20-21H,2-3,12-13H2,1H3
InChIKeyOAGFLOGCQJFTCI-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384
1-fluoro-4-propylbenzene
CID 2737505
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447
1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol
CID 119047886

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol (CID 82316019) is 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CNCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol?
The InChIKey is OAGFLOGCQJFTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-2-3-14-4-8-16(9-5-14)18(21)13-20-12-15-6-10-17(19)11-7-15/h4-11,18,20-21H,2-3,12-13H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol?
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol has a molecular weight of 287.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 82316019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).