(Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine

C14H19FN2 — CID 143932111

IUPAC(Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine
SMILESC/C=C(\C)N(C)/C=C(\NC)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2/c1-5-11(2)17(4)10-14(16-3)12-6-8-13(15)9-7-12/h5-10,16H,1-4H3/b11-5+,14-10-
InChIKeyPBHMBNZAOLJOEG-IFRKAEHOSA-N
MW234.32 g/mol
LogP3.20
Rot. Bonds4

About (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine

(Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine (PubChem CID 143932111) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine
PubChem CID143932111
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name(Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine
SMILESC/C=C(\C)N(C)/C=C(\NC)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2/c1-5-11(2)17(4)10-14(16-3)12-6-8-13(15)9-7-12/h5-10,16H,1-4H3/b11-5+,14-10-
InChIKeyPBHMBNZAOLJOEG-IFRKAEHOSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine?
The IUPAC name of (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine (CID 143932111) is (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine?
The canonical SMILES for (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine is C/C=C(\C)N(C)/C=C(\NC)c1ccc(F)cc1.
What is the InChIKey of (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine?
The InChIKey is PBHMBNZAOLJOEG-IFRKAEHOSA-N. The full InChI is InChI=1S/C14H19FN2/c1-5-11(2)17(4)10-14(16-3)12-6-8-13(15)9-7-12/h5-10,16H,1-4H3/b11-5+,14-10-.
What are the key properties of (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine?
(Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine has a molecular weight of 234.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine is sourced from PubChem (CID 143932111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).