N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline

C18H20N2O — CID 6076381

IUPACN-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
SMILESCOc1ccc2c(c1)CCC/C2=N\Nc1ccc(C)cc1
InChIInChI=1S/C18H20N2O/c1-13-6-8-15(9-7-13)19-20-18-5-3-4-14-12-16(21-2)10-11-17(14)18/h6-12,19H,3-5H2,1-2H3/b20-18+
InChIKeyUQSSWTMSDHLTMB-CZIZESTLSA-N
MW280.37 g/mol
LogP4.16
Rot. Bonds3

About N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline

N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline (PubChem CID 6076381) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
PubChem CID6076381
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
SMILESCOc1ccc2c(c1)CCC/C2=N\Nc1ccc(C)cc1
InChIInChI=1S/C18H20N2O/c1-13-6-8-15(9-7-13)19-20-18-5-3-4-14-12-16(21-2)10-11-17(14)18/h6-12,19H,3-5H2,1-2H3/b20-18+
InChIKeyUQSSWTMSDHLTMB-CZIZESTLSA-N
XLogP4.16
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 2807504
N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-nitroaniline
CID 9059234
N-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 162286968
1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea
CID 8978994
4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
CID 9121006
ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
CID 2807544
ethyl 2-[2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazol-5-yl]acetate
CID 2807524
N-[(Z)-[1-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-indol-4-ylidene]amino]aniline
CID 6373794
4-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
CID 154862519
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide
CID 43879781
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline?
The IUPAC name of N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline (CID 6076381) is N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline.
What is the SMILES notation for N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline?
The canonical SMILES for N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline is COc1ccc2c(c1)CCC/C2=N\Nc1ccc(C)cc1.
What is the InChIKey of N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline?
The InChIKey is UQSSWTMSDHLTMB-CZIZESTLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-6-8-15(9-7-13)19-20-18-5-3-4-14-12-16(21-2)10-11-17(14)18/h6-12,19H,3-5H2,1-2H3/b20-18+.
What are the key properties of N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline?
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline has a molecular weight of 280.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline is sourced from PubChem (CID 6076381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).