(Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine

C17H20FN3 — CID 166959323

IUPAC(Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine
SMILESCc1cc(F)cc(/C(N)=C/N(N)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H20FN3/c1-11-4-5-17(13(3)6-11)21(20)10-16(19)14-7-12(2)8-15(18)9-14/h4-10H,19-20H2,1-3H3/b16-10-
InChIKeyOBXLLNHJJJQNKA-YBEGLDIGSA-N
MW285.37 g/mol
LogP3.39
Rot. Bonds3

About (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine

(Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine (PubChem CID 166959323) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine
PubChem CID166959323
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name(Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine
SMILESCc1cc(F)cc(/C(N)=C/N(N)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H20FN3/c1-11-4-5-17(13(3)6-11)21(20)10-16(19)14-7-12(2)8-15(18)9-14/h4-10H,19-20H2,1-3H3/b16-10-
InChIKeyOBXLLNHJJJQNKA-YBEGLDIGSA-N
XLogP3.39
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 2140104
CID 2140104
CID 51039204
CID 51039204
CID 127044703
CID 127044703
CID 154888
CID 154888
CID 1906544
CID 1906544
CID 24847053
CID 24847053
CID 24847060
CID 24847060
CID 53231557
CID 53231557
CID 134794665
CID 134794665
CID 23043086
CID 23043086
CID 13348063
CID 13348063
CID 21730463
CID 21730463

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine?
The IUPAC name of (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine (CID 166959323) is (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine.
What is the SMILES notation for (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine?
The canonical SMILES for (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine is Cc1cc(F)cc(/C(N)=C/N(N)c2ccc(C)cc2C)c1.
What is the InChIKey of (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine?
The InChIKey is OBXLLNHJJJQNKA-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H20FN3/c1-11-4-5-17(13(3)6-11)21(20)10-16(19)14-7-12(2)8-15(18)9-14/h4-10H,19-20H2,1-3H3/b16-10-.
What are the key properties of (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine?
(Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine has a molecular weight of 285.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(N-amino-2,4-dimethylanilino)-1-(3-fluoro-5-methylphenyl)ethenamine is sourced from PubChem (CID 166959323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).