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

C17H20FNO — CID 65185462

IUPAC3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-11-7-8-13(12(2)9-11)17(20)15(10-19)14-5-3-4-6-16(14)18/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyPYUGFEORNKLUIJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.22
Rot. Bonds4

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

3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 65185462) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID65185462
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-11-7-8-13(12(2)9-11)17(20)15(10-19)14-5-3-4-6-16(14)18/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyPYUGFEORNKLUIJ-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-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 82772706
3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65185914
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol (CID 65185462) is 3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol is Cc1ccc(C(O)C(CN)c2ccccc2F)c(C)c1.
What is the InChIKey of 3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is PYUGFEORNKLUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-7-8-13(12(2)9-11)17(20)15(10-19)14-5-3-4-6-16(14)18/h3-9,15,17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(2,4-dimethylphenyl)-2-(2-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-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).