5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine

C14H13FN2 — CID 45271766

IUPAC5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine
SMILESNc1cc(N)cc(/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H,16-17H2/b2-1+
InChIKeyNHVHRPAEYHNCOA-OWOJBTEDSA-N
MW228.27 g/mol
LogP3.16
Rot. Bonds2

About 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine

5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine (PubChem CID 45271766) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine
PubChem CID45271766
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine
SMILESNc1cc(N)cc(/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H,16-17H2/b2-1+
InChIKeyNHVHRPAEYHNCOA-OWOJBTEDSA-N
XLogP3.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)ethenyl]-6-[2-[6-[2-(4-fluorophenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72534274
5-[(Z)-2-(4-aminophenyl)ethenyl]benzene-1,3-diamine;5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 163701124
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543273
(E)-2-(4-fluorophenyl)ethenesulfonamide
CID 22750880
lithium;4-fluoroaniline;hydride
CID 173323574
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
CID 169453038
4-[2-(3,5-difluorophenyl)ethenyl]-N,N-bis[4-[2-(3,5-difluorophenyl)ethenyl]phenyl]aniline
CID 72575215
4-(4-fluorophenyl)but-3-en-1-amine
CID 56986139

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine?
The IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine (CID 45271766) is 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine.
What is the SMILES notation for 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine?
The canonical SMILES for 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine is Nc1cc(N)cc(/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine?
The InChIKey is NHVHRPAEYHNCOA-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H13FN2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H,16-17H2/b2-1+.
What are the key properties of 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine?
5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine has a molecular weight of 228.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine is sourced from PubChem (CID 45271766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).