2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline

C16H16FN3 — CID 168965197

IUPAC2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline
SMILESC/N=C/C=C(\N)c1cc(-c2ccc(F)cc2)ccc1N
InChIInChI=1S/C16H16FN3/c1-20-9-8-16(19)14-10-12(4-7-15(14)18)11-2-5-13(17)6-3-11/h2-10H,18-19H2,1H3/b16-8-,20-9+
InChIKeySGCBRWQBEQUFRW-GIHVAJTLSA-N
MW269.32 g/mol
LogP3.08
Rot. Bonds3

About 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline

2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline (PubChem CID 168965197) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline
PubChem CID168965197
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline
SMILESC/N=C/C=C(\N)c1cc(-c2ccc(F)cc2)ccc1N
InChIInChI=1S/C16H16FN3/c1-20-9-8-16(19)14-10-12(4-7-15(14)18)11-2-5-13(17)6-3-11/h2-10H,18-19H2,1H3/b16-8-,20-9+
InChIKeySGCBRWQBEQUFRW-GIHVAJTLSA-N
XLogP3.08
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(1-amino-3-methyliminoprop-1-enyl)-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 174087859
3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline
CID 176940640
(E)-1-[2-amino-5-(4-fluorophenyl)phenyl]-N-[(6-methylpyridazin-3-yl)methyl]ethene-1,2-diamine
CID 167090440
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline
CID 164673159
bis(2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid);hydrate
CID 174768508
(Z)-2-(2-amino-5-fluorophenyl)but-2-enal
CID 143644911
2-amino-4-(4-fluorophenyl)benzonitrile;ethane
CID 143899726
6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151
4,5-bis(4-fluorophenyl)benzene-1,2-diamine
CID 135324537
2-amino-5-(4-amino-3-methylphenyl)benzoic acid
CID 143962907

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline?
The IUPAC name of 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline (CID 168965197) is 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline.
What is the SMILES notation for 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline?
The canonical SMILES for 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline is C/N=C/C=C(\N)c1cc(-c2ccc(F)cc2)ccc1N.
What is the InChIKey of 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline?
The InChIKey is SGCBRWQBEQUFRW-GIHVAJTLSA-N. The full InChI is InChI=1S/C16H16FN3/c1-20-9-8-16(19)14-10-12(4-7-15(14)18)11-2-5-13(17)6-3-11/h2-10H,18-19H2,1H3/b16-8-,20-9+.
What are the key properties of 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline?
2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline has a molecular weight of 269.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline is sourced from PubChem (CID 168965197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).