(Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine

C13H18N2O — CID 70305268

IUPAC(Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine
SMILESC=CN/C(=C\C)CNc1cccc(OC)c1
InChIInChI=1S/C13H18N2O/c1-4-11(14-5-2)10-15-12-7-6-8-13(9-12)16-3/h4-9,14-15H,2,10H2,1,3H3/b11-4-
InChIKeyWEIZDYZVKDFFAH-WCIBSUBMSA-N
MW218.30 g/mol
LogP2.74
Rot. Bonds6

About (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine

(Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine (PubChem CID 70305268) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine
PubChem CID70305268
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine
SMILESC=CN/C(=C\C)CNc1cccc(OC)c1
InChIInChI=1S/C13H18N2O/c1-4-11(14-5-2)10-15-12-7-6-8-13(9-12)16-3/h4-9,14-15H,2,10H2,1,3H3/b11-4-
InChIKeyWEIZDYZVKDFFAH-WCIBSUBMSA-N
XLogP2.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyanilino)-N,N-bis(prop-2-enyl)acetamide
CID 54814741
ethane;N-ethyl-3-methoxyaniline
CID 142222302
2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
CID 1133350
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone
CID 96667576
methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
CID 91163567
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
N-(2,6-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 43405262
methyl (E)-4-(3-methoxyanilino)but-2-enoate
CID 115032548

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine (CID 70305268) is (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine is C=CN/C(=C\C)CNc1cccc(OC)c1.
What is the InChIKey of (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine?
The InChIKey is WEIZDYZVKDFFAH-WCIBSUBMSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-11(14-5-2)10-15-12-7-6-8-13(9-12)16-3/h4-9,14-15H,2,10H2,1,3H3/b11-4-.
What are the key properties of (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine?
(Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-ethenyl-1-N-(3-methoxyphenyl)but-2-ene-1,2-diamine is sourced from PubChem (CID 70305268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).