3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol

C16H18FNO — CID 65186538

IUPAC3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
SMILESCc1ccc(F)cc1C(O)C(CN)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-11-7-8-13(17)9-14(11)16(19)15(10-18)12-5-3-2-4-6-12/h2-9,15-16,19H,10,18H2,1H3
InChIKeyOTKRRNXHLHKXCL-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.91
Rot. Bonds4

About 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol

3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol (PubChem CID 65186538) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
PubChem CID65186538
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
SMILESCc1ccc(F)cc1C(O)C(CN)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-11-7-8-13(17)9-14(11)16(19)15(10-18)12-5-3-2-4-6-12/h2-9,15-16,19H,10,18H2,1H3
InChIKeyOTKRRNXHLHKXCL-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 22708367
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol (CID 65186538) is 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol is Cc1ccc(F)cc1C(O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol?
The InChIKey is OTKRRNXHLHKXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-7-8-13(17)9-14(11)16(19)15(10-18)12-5-3-2-4-6-12/h2-9,15-16,19H,10,18H2,1H3.
What are the key properties of 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol?
3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol has a molecular weight of 259.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 65186538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).