3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol

C16H17F2NO — CID 65185576

IUPAC3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESCc1ccc(F)cc1C(O)C(CN)c1ccc(F)cc1
InChIInChI=1S/C16H17F2NO/c1-10-2-5-13(18)8-14(10)16(20)15(9-19)11-3-6-12(17)7-4-11/h2-8,15-16,20H,9,19H2,1H3
InChIKeyJNNDQAILPIKDGY-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.05
Rot. Bonds4

About 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol

3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 65185576) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
PubChem CID65185576
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESCc1ccc(F)cc1C(O)C(CN)c1ccc(F)cc1
InChIInChI=1S/C16H17F2NO/c1-10-2-5-13(18)8-14(10)16(20)15(9-19)11-3-6-12(17)7-4-11/h2-8,15-16,20H,9,19H2,1H3
InChIKeyJNNDQAILPIKDGY-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
(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-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
CID 171871828
3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185733

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol (CID 65185576) is 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol is Cc1ccc(F)cc1C(O)C(CN)c1ccc(F)cc1.
What is the InChIKey of 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is JNNDQAILPIKDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-2-5-13(18)8-14(10)16(20)15(9-19)11-3-6-12(17)7-4-11/h2-8,15-16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol?
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 277.31 g/mol, XLogP of 3.05, 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-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).