(2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol

C15H16FNO — CID 82684351

IUPAC(2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(F)ccc2N)c(C)c1
InChIInChI=1S/C15H16FNO/c1-9-3-5-12(10(2)7-9)15(18)13-8-11(16)4-6-14(13)17/h3-8,15,18H,17H2,1-2H3
InChIKeyGUPCBPJROOEJHZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.11
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol

(2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol (PubChem CID 82684351) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol
PubChem CID82684351
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(F)ccc2N)c(C)c1
InChIInChI=1S/C15H16FNO/c1-9-3-5-12(10(2)7-9)15(18)13-8-11(16)4-6-14(13)17/h3-8,15,18H,17H2,1-2H3
InChIKeyGUPCBPJROOEJHZ-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.11
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

bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(2,4-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61086897
(2-amino-5-methylphenyl)-(3-fluorophenyl)methanol
CID 105489348
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanol
CID 62791480
(2-amino-4-fluorophenyl)-(2-methylphenyl)methanol
CID 105489352
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 63899302
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(4-fluoro-2-methylphenyl)-(3-methylphenyl)methanol
CID 62791652
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol?
The IUPAC name of (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol (CID 82684351) is (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol?
The canonical SMILES for (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol is Cc1ccc(C(O)c2cc(F)ccc2N)c(C)c1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol?
The InChIKey is GUPCBPJROOEJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-9-3-5-12(10(2)7-9)15(18)13-8-11(16)4-6-14(13)17/h3-8,15,18H,17H2,1-2H3.
What are the key properties of (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol?
(2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol has a molecular weight of 245.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(2,4-dimethylphenyl)methanol is sourced from PubChem (CID 82684351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).