2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride

C19H22ClNO3 — CID 25050330

IUPAC2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride
SMILESC=CCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1.Cl
InChIInChI=1S/C19H21NO3.ClH/c1-4-9-23-17-11-15(10-16(13-17)21-2)6-5-14-7-8-19(22-3)18(20)12-14;/h4-8,10-13H,1,9,20H2,2-3H3;1H/b6-5-;
InChIKeyIIHJBWOYKJXCGN-YSMBQZINSA-N
MW347.84 g/mol
LogP4.44
Rot. Bonds7

About 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride

2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride (PubChem CID 25050330) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride
PubChem CID25050330
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride
SMILESC=CCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1.Cl
InChIInChI=1S/C19H21NO3.ClH/c1-4-9-23-17-11-15(10-16(13-17)21-2)6-5-14-7-8-19(22-3)18(20)12-14;/h4-8,10-13H,1,9,20H2,2-3H3;1H/b6-5-;
InChIKeyIIHJBWOYKJXCGN-YSMBQZINSA-N
XLogP4.44
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]aniline
CID 16090836
(E)-4-(3,4,5-Trimethoxystyryl)aniline
CID 15696376
(E)-4-(3,5-Dimethoxystyryl)aniline
CID 18785180
AC-7739 free base
CID 9796936
2-(3-Methylphenoxy)aniline
CID 2060829
2,4-Dimethoxy-4''-amino-trans-stilbene
CID 49799655
4-(3,5-Dimethoxyphenethyl)benzenamine
CID 14256034
2-(Difluoromethoxy)-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145951825
5-[2,2-Difluoro-1-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyaniline
CID 145959615
3,3'-Diethoxybiphenyl-4,4'-diamine
CID 974772
AC-7739
CID 9798564
(E)-3-(3-amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-prop-2-enenitrile
CID 9840884

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride?
The IUPAC name of 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride (CID 25050330) is 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride.
What is the SMILES notation for 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride?
The canonical SMILES for 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride is C=CCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1.Cl.
What is the InChIKey of 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride?
The InChIKey is IIHJBWOYKJXCGN-YSMBQZINSA-N. The full InChI is InChI=1S/C19H21NO3.ClH/c1-4-9-23-17-11-15(10-16(13-17)21-2)6-5-14-7-8-19(22-3)18(20)12-14;/h4-8,10-13H,1,9,20H2,2-3H3;1H/b6-5-;.
What are the key properties of 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride?
2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride has a molecular weight of 347.84 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]aniline;hydrochloride is sourced from PubChem (CID 25050330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).