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

C17H20FNO — CID 65187891

IUPAC3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H20FNO/c1-11-3-5-13(6-4-11)15(10-19)17(20)14-7-8-16(18)12(2)9-14/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyHQASWEQHZYQDKY-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.22
Rot. Bonds4

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

3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 65187891) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID65187891
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H20FNO/c1-11-3-5-13(6-4-11)15(10-19)17(20)14-7-8-16(18)12(2)9-14/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyHQASWEQHZYQDKY-UHFFFAOYSA-N
XLogP3.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 65189770
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887
3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65186689
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-diol
CID 171859509
3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
CID 81325141
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol (CID 65187891) is 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is HQASWEQHZYQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-3-5-13(6-4-11)15(10-19)17(20)14-7-8-16(18)12(2)9-14/h3-9,15,17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol?
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 65187891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).