1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol

C17H19F2NO — CID 65189724

IUPAC1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol
SMILESNCC(c1ccc(F)cc1F)C(O)CCc1ccccc1
InChIInChI=1S/C17H19F2NO/c18-13-7-8-14(16(19)10-13)15(11-20)17(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10,15,17,21H,6,9,11,20H2
InChIKeyZECGOSXZYLQQPQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.00
Rot. Bonds6

About 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol

1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol (PubChem CID 65189724) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol
PubChem CID65189724
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol
SMILESNCC(c1ccc(F)cc1F)C(O)CCc1ccccc1
InChIInChI=1S/C17H19F2NO/c18-13-7-8-14(16(19)10-13)15(11-20)17(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10,15,17,21H,6,9,11,20H2
InChIKeyZECGOSXZYLQQPQ-UHFFFAOYSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2-fluorophenyl)-5-phenylpentan-3-ol
CID 65185569
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol
CID 65186430
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol
CID 65184766
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol
CID 65189777
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol?
The IUPAC name of 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol (CID 65189724) is 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol.
What is the SMILES notation for 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol?
The canonical SMILES for 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol is NCC(c1ccc(F)cc1F)C(O)CCc1ccccc1.
What is the InChIKey of 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol?
The InChIKey is ZECGOSXZYLQQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c18-13-7-8-14(16(19)10-13)15(11-20)17(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10,15,17,21H,6,9,11,20H2.
What are the key properties of 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol?
1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol has a molecular weight of 291.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol is sourced from PubChem (CID 65189724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).