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

C18H22FNO — CID 22261542

IUPAC2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO/c1-12(2)15-5-3-4-13(10-15)11-17(20)18(21)14-6-8-16(19)9-7-14/h3-10,12,17-18,21H,11,20H2,1-2H3
InChIKeyVAJIJSINNRJQNB-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.55
Rot. Bonds5

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

2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol (PubChem CID 22261542) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol
PubChem CID22261542
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO/c1-12(2)15-5-3-4-13(10-15)11-17(20)18(21)14-6-8-16(19)9-7-14/h3-10,12,17-18,21H,11,20H2,1-2H3
InChIKeyVAJIJSINNRJQNB-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol (CID 22261542) is 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol is CC(C)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol?
The InChIKey is VAJIJSINNRJQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)15-5-3-4-13(10-15)11-17(20)18(21)14-6-8-16(19)9-7-14/h3-10,12,17-18,21H,11,20H2,1-2H3.
What are the key properties of 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol?
2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 22261542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).