[2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol

C15H16FNO — CID 57078118

IUPAC[2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol
SMILESNCCc1ccccc1C(O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c16-13-7-5-12(6-8-13)15(18)14-4-2-1-3-11(14)9-10-17/h1-8,15,18H,9-10,17H2
InChIKeyBCDFBANQMYNNLJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.41
Rot. Bonds4

About [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol

[2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol (PubChem CID 57078118) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol
PubChem CID57078118
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol
SMILESNCCc1ccccc1C(O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c16-13-7-5-12(6-8-13)15(18)14-4-2-1-3-11(14)9-10-17/h1-8,15,18H,9-10,17H2
InChIKeyBCDFBANQMYNNLJ-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol (CID 57078118) is [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol is NCCc1ccccc1C(O)c1ccc(F)cc1.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol?
The InChIKey is BCDFBANQMYNNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-13-7-5-12(6-8-13)15(18)14-4-2-1-3-11(14)9-10-17/h1-8,15,18H,9-10,17H2.
What are the key properties of [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol?
[2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol has a molecular weight of 245.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 57078118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).