2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline

C20H19NO2 — CID 11301193

IUPAC2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
SMILESCOc1cc(/C=C/c2ccc3ccccc3c2)cc(N)c1OC
InChIInChI=1S/C20H19NO2/c1-22-19-13-15(12-18(21)20(19)23-2)8-7-14-9-10-16-5-3-4-6-17(16)11-14/h3-13H,21H2,1-2H3/b8-7+
InChIKeyACLBXENVWSKUGV-BQYQJAHWSA-N
MW305.38 g/mol
LogP4.61
Rot. Bonds4

About 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline

2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline (PubChem CID 11301193) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline.

Molecular Properties

Compound Name2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
PubChem CID11301193
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
SMILESCOc1cc(/C=C/c2ccc3ccccc3c2)cc(N)c1OC
InChIInChI=1S/C20H19NO2/c1-22-19-13-15(12-18(21)20(19)23-2)8-7-14-9-10-16-5-3-4-6-17(16)11-14/h3-13H,21H2,1-2H3/b8-7+
InChIKeyACLBXENVWSKUGV-BQYQJAHWSA-N
XLogP4.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthalen-1-yl)-2,3-dimethoxy-phenyl]-acetamide
CID 10646809
2-[(Z)-2-(3,4-Dimethoxy-5-nitro-phenyl)-vinyl]-naphthalene
CID 11151810
2-methoxy-5-[(Z)-2-naphthalen-2-ylethenyl]aniline
CID 11173418
2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]aniline
CID 11174230
[4-(3-Amino-4,5-dimethoxyphenyl)-6,7-diethoxy-3-(hydroxymethyl)naphthalen-2-yl]methanol;hydrochloride
CID 45261098
2-Methoxy-5-(3,4,5-trimethoxyphenyl)naphthalen-1-amine
CID 60145019
6,7-Dimethoxynaphthalen-2-amine
CID 12237780
2-[(E)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]naphthalene
CID 11290586
N-[2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenyl]acetamide
CID 11325470
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
CID 11369394
2-methoxy-5-[(Z)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine
CID 11380731
6,7-Dimethoxy-1-naphthalenamine
CID 387180

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline?
The IUPAC name of 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline (CID 11301193) is 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline.
What is the SMILES notation for 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline?
The canonical SMILES for 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline is COc1cc(/C=C/c2ccc3ccccc3c2)cc(N)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline?
The InChIKey is ACLBXENVWSKUGV-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H19NO2/c1-22-19-13-15(12-18(21)20(19)23-2)8-7-14-9-10-16-5-3-4-6-17(16)11-14/h3-13H,21H2,1-2H3/b8-7+.
What are the key properties of 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline?
2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline has a molecular weight of 305.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline is sourced from PubChem (CID 11301193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).