1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol

C15H16FNO — CID 82684970

IUPAC1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2cc(F)ccc2N)c1
InChIInChI=1S/C15H16FNO/c1-10-3-2-4-11(7-10)8-15(18)13-9-12(16)5-6-14(13)17/h2-7,9,15,18H,8,17H2,1H3
InChIKeyGBEMZKWTSYICBE-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.99
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol

1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol (PubChem CID 82684970) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
PubChem CID82684970
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2cc(F)ccc2N)c1
InChIInChI=1S/C15H16FNO/c1-10-3-2-4-11(7-10)8-15(18)13-9-12(16)5-6-14(13)17/h2-7,9,15,18H,8,17H2,1H3
InChIKeyGBEMZKWTSYICBE-UHFFFAOYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
[1-(2,5-difluorophenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208925
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165
1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105397604
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 55135398
1-(2-amino-5-fluorophenyl)-2-methoxyethanol
CID 82685227
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 62802583
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971
(2-amino-5-fluorophenyl)-(3-ethylphenyl)methanol
CID 82684554

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol (CID 82684970) is 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2cc(F)ccc2N)c1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol?
The InChIKey is GBEMZKWTSYICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-3-2-4-11(7-10)8-15(18)13-9-12(16)5-6-14(13)17/h2-7,9,15,18H,8,17H2,1H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol has a molecular weight of 245.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 82684970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).