2-(1-aminoethyl)-4-(2-fluorophenyl)phenol

C14H14FNO — CID 115038231

IUPAC2-(1-aminoethyl)-4-(2-fluorophenyl)phenol
SMILESCC(N)c1cc(-c2ccccc2F)ccc1O
InChIInChI=1S/C14H14FNO/c1-9(16)12-8-10(6-7-14(12)17)11-4-2-3-5-13(11)15/h2-9,17H,16H2,1H3
InChIKeyMDZRUGRJPIRDRR-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.22
Rot. Bonds2

About 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol

2-(1-aminoethyl)-4-(2-fluorophenyl)phenol (PubChem CID 115038231) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-(2-fluorophenyl)phenol
PubChem CID115038231
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-(1-aminoethyl)-4-(2-fluorophenyl)phenol
SMILESCC(N)c1cc(-c2ccccc2F)ccc1O
InChIInChI=1S/C14H14FNO/c1-9(16)12-8-10(6-7-14(12)17)11-4-2-3-5-13(11)15/h2-9,17H,16H2,1H3
InChIKeyMDZRUGRJPIRDRR-UHFFFAOYSA-N
XLogP3.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-aminoethyl)-4-fluorophenyl]phenol
CID 115038229
1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine
CID 82783615
2-(1-aminoethyl)-4-(3-methylphenyl)phenol
CID 115036226
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
CID 54911668
2-chloro-5-(2-fluorophenyl)phenol
CID 46314345
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
1-[2-methyl-5-(2-methylphenyl)phenyl]ethanamine
CID 115035167
1,4-bis(2-fluorophenyl)benzene
CID 58121760
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
2-[(1S)-1-aminoethyl]-4-sulfanylphenol
CID 130635425
1-fluoro-2-(3-propan-2-ylphenyl)benzene
CID 20871867

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol?
The IUPAC name of 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol (CID 115038231) is 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol?
The canonical SMILES for 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol is CC(N)c1cc(-c2ccccc2F)ccc1O.
What is the InChIKey of 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol?
The InChIKey is MDZRUGRJPIRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9(16)12-8-10(6-7-14(12)17)11-4-2-3-5-13(11)15/h2-9,17H,16H2,1H3.
What are the key properties of 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol?
2-(1-aminoethyl)-4-(2-fluorophenyl)phenol has a molecular weight of 231.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-(2-fluorophenyl)phenol is sourced from PubChem (CID 115038231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).