2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine

C19H18N2O — CID 11460480

IUPAC2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine
SMILESCOc1c(N)cc(/C=C/c2ccc3ccccc3c2)cc1N
InChIInChI=1S/C19H18N2O/c1-22-19-17(20)11-14(12-18(19)21)7-6-13-8-9-15-4-2-3-5-16(15)10-13/h2-12H,20-21H2,1H3/b7-6+
InChIKeyDUSCRKODPGAANJ-VOTSOKGWSA-N
MW290.37 g/mol
LogP4.18
Rot. Bonds3

About 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine

2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine (PubChem CID 11460480) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine
PubChem CID11460480
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine
SMILESCOc1c(N)cc(/C=C/c2ccc3ccccc3c2)cc1N
InChIInChI=1S/C19H18N2O/c1-22-19-17(20)11-14(12-18(19)21)7-6-13-8-9-15-4-2-3-5-16(15)10-13/h2-12H,20-21H2,1H3/b7-6+
InChIKeyDUSCRKODPGAANJ-VOTSOKGWSA-N
XLogP4.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
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

5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline
CID 24786217
2-methoxy-5-[(Z)-2-naphthalen-2-ylethenyl]aniline
CID 11173418
2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]aniline
CID 11174230
2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
CID 11301193
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
2-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]naphthalene
CID 11381187
4-(6-Methoxynaphthalen-2-yl)aniline
CID 26597815
4-tert-Butyl-2,6-diaminoanisole
CID 4177235
4-(2-Ethoxy-phenylazo)-naphthalen-1-ylamine
CID 4649000
2-[(Z)-2-(4-methoxy-3,5-dinitrophenyl)ethenyl]naphthalene
CID 11210278
N,N-diethyl-2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
CID 11221237

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine?
The IUPAC name of 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine (CID 11460480) is 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine.
What is the SMILES notation for 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine?
The canonical SMILES for 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine is COc1c(N)cc(/C=C/c2ccc3ccccc3c2)cc1N.
What is the InChIKey of 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine?
The InChIKey is DUSCRKODPGAANJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H18N2O/c1-22-19-17(20)11-14(12-18(19)21)7-6-13-8-9-15-4-2-3-5-16(15)10-13/h2-12H,20-21H2,1H3/b7-6+.
What are the key properties of 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine?
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]benzene-1,3-diamine is sourced from PubChem (CID 11460480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).