2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol

C16H18FNO — CID 55245369

IUPAC2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)C(N)Cc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO/c1-11-7-8-13(10-14(11)17)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15-16,19H,9,18H2,1H3
InChIKeySVLCYJCCNWRSGV-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol

2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol (PubChem CID 55245369) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
PubChem CID55245369
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)C(N)Cc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO/c1-11-7-8-13(10-14(11)17)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15-16,19H,9,18H2,1H3
InChIKeySVLCYJCCNWRSGV-UHFFFAOYSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol (CID 55245369) is 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol is Cc1ccc(C(O)C(N)Cc2ccccc2)cc1F.
What is the InChIKey of 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol?
The InChIKey is SVLCYJCCNWRSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-7-8-13(10-14(11)17)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15-16,19H,9,18H2,1H3.
What are the key properties of 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol?
2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol has a molecular weight of 259.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 55245369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).