3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol

C17H20FNO — CID 65185730

IUPAC3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)C(CN)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO/c1-11-7-12(2)9-14(8-11)17(20)16(10-19)13-3-5-15(18)6-4-13/h3-9,16-17,20H,10,19H2,1-2H3
InChIKeyGRWVPQRHZYXJAT-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.22
Rot. Bonds4

About 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol

3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 65185730) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
PubChem CID65185730
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)C(CN)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO/c1-11-7-12(2)9-14(8-11)17(20)16(10-19)13-3-5-15(18)6-4-13/h3-9,16-17,20H,10,19H2,1-2H3
InChIKeyGRWVPQRHZYXJAT-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-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
CID 81325141
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185223
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65185271
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 65190689

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol (CID 65185730) is 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol is Cc1cc(C)cc(C(O)C(CN)c2ccc(F)cc2)c1.
What is the InChIKey of 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is GRWVPQRHZYXJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-7-12(2)9-14(8-11)17(20)16(10-19)13-3-5-15(18)6-4-13/h3-9,16-17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol?
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)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-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).