1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol

C18H22FNO — CID 60981253

IUPAC1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
SMILESCC(CCc1ccccc1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-14(10-11-15-6-3-2-4-7-15)20-13-18(21)16-8-5-9-17(19)12-16/h2-9,12,14,18,20-21H,10-11,13H2,1H3
InChIKeyBFOIVEYPXGDBCT-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.47
Rot. Bonds7

About 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol

1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol (PubChem CID 60981253) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
PubChem CID60981253
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
SMILESCC(CCc1ccccc1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-14(10-11-15-6-3-2-4-7-15)20-13-18(21)16-8-5-9-17(19)12-16/h2-9,12,14,18,20-21H,10-11,13H2,1H3
InChIKeyBFOIVEYPXGDBCT-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979915
1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 547333
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol chloride
CID 53350784
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 151436293
1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol
CID 23322179
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
(1R)-2-[[(2S)-4-(4-methylsulfonylphenyl)butan-2-yl]amino]-1-phenylethanol;hydrochloride
CID 70469832
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol (CID 60981253) is 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol is CC(CCc1ccccc1)NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
The InChIKey is BFOIVEYPXGDBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14(10-11-15-6-3-2-4-7-15)20-13-18(21)16-8-5-9-17(19)12-16/h2-9,12,14,18,20-21H,10-11,13H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol has a molecular weight of 287.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol is sourced from PubChem (CID 60981253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).