(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone

C15H14FNO — CID 81478857

IUPAC(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(C)c2F)ccc1N
InChIInChI=1S/C15H14FNO/c1-9-4-3-5-12(14(9)16)15(18)11-6-7-13(17)10(2)8-11/h3-8H,17H2,1-2H3
InChIKeyPFVWTXHFUNDWHH-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.26
Rot. Bonds2

About (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone

(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81478857) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81478857
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(C)c2F)ccc1N
InChIInChI=1S/C15H14FNO/c1-9-4-3-5-12(14(9)16)15(18)11-6-7-13(17)10(2)8-11/h3-8H,17H2,1-2H3
InChIKeyPFVWTXHFUNDWHH-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481355
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116582093
(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
CID 82073342
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone (CID 81478857) is (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2cccc(C)c2F)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is PFVWTXHFUNDWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-9-4-3-5-12(14(9)16)15(18)11-6-7-13(17)10(2)8-11/h3-8H,17H2,1-2H3.
What are the key properties of (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone?
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 243.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81478857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).