3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol

C18H22FNO — CID 65189466

IUPAC3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(CN)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-12(2)13-3-5-14(6-4-13)17(11-20)18(21)15-7-9-16(19)10-8-15/h3-10,12,17-18,21H,11,20H2,1-2H3
InChIKeyYCWRVQWCMLIIEY-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.72
Rot. Bonds5

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

3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 65189466) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID65189466
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(CN)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-12(2)13-3-5-14(6-4-13)17(11-20)18(21)15-7-9-16(19)10-8-15/h3-10,12,17-18,21H,11,20H2,1-2H3
InChIKeyYCWRVQWCMLIIEY-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65185271
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
3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185223
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82089305
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
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-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol (CID 65189466) is 3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(C(CN)C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is YCWRVQWCMLIIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)13-3-5-14(6-4-13)17(11-20)18(21)15-7-9-16(19)10-8-15/h3-10,12,17-18,21H,11,20H2,1-2H3.
What are the key properties of 3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol?
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 65189466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).