2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile

C18H18N2O — CID 107803670

IUPAC2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile
SMILESCOc1ccc2c(c1)C(Nc1cccc(C)c1C#N)CC2
InChIInChI=1S/C18H18N2O/c1-12-4-3-5-17(16(12)11-19)20-18-9-7-13-6-8-14(21-2)10-15(13)18/h3-6,8,10,18,20H,7,9H2,1-2H3
InChIKeyFNNYGOZFZHBKAI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.97
Rot. Bonds3

About 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile

2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile (PubChem CID 107803670) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile
PubChem CID107803670
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile
SMILESCOc1ccc2c(c1)C(Nc1cccc(C)c1C#N)CC2
InChIInChI=1S/C18H18N2O/c1-12-4-3-5-17(16(12)11-19)20-18-9-7-13-6-8-14(21-2)10-15(13)18/h3-6,8,10,18,20H,7,9H2,1-2H3
InChIKeyFNNYGOZFZHBKAI-UHFFFAOYSA-N
XLogP3.97
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylpyridin-3-amine
CID 79367060
2-methoxy-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 79366034
N-(2-bromo-5-methylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82762030
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 107572282
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102852883
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyridin-3-amine
CID 79248518
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367032

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile (CID 107803670) is 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile is COc1ccc2c(c1)C(Nc1cccc(C)c1C#N)CC2.
What is the InChIKey of 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile?
The InChIKey is FNNYGOZFZHBKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-4-3-5-17(16(12)11-19)20-18-9-7-13-6-8-14(21-2)10-15(13)18/h3-6,8,10,18,20H,7,9H2,1-2H3.
What are the key properties of 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile?
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107803670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).