3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol

C16H16F3NO — CID 65189770

IUPAC3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)C(CN)c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C16H16F3NO/c1-9-6-10(2-5-14(9)18)16(21)13(8-20)12-4-3-11(17)7-15(12)19/h2-7,13,16,21H,8,20H2,1H3
InChIKeyMJQAUXWQDRTJSM-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.19
Rot. Bonds4

About 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol

3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 65189770) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
PubChem CID65189770
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)C(CN)c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C16H16F3NO/c1-9-6-10(2-5-14(9)18)16(21)13(8-20)12-4-3-11(17)7-15(12)19/h2-7,13,16,21H,8,20H2,1H3
InChIKeyMJQAUXWQDRTJSM-UHFFFAOYSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 82876956
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol (CID 65189770) is 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol is Cc1cc(C(O)C(CN)c2ccc(F)cc2F)ccc1F.
What is the InChIKey of 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is MJQAUXWQDRTJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-9-6-10(2-5-14(9)18)16(21)13(8-20)12-4-3-11(17)7-15(12)19/h2-7,13,16,21H,8,20H2,1H3.
What are the key properties of 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 65189770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).