2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile

C17H15N3O — CID 107466650

IUPAC2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H15N3O/c1-21-16-4-2-3-14(10-18)17(16)20-11-12-5-6-13-7-8-19-15(13)9-12/h2-9,19-20H,11H2,1H3
InChIKeyGUZQIJYMDALPBX-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.66
Rot. Bonds4

About 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile

2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile (PubChem CID 107466650) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile
PubChem CID107466650
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H15N3O/c1-21-16-4-2-3-14(10-18)17(16)20-11-12-5-6-13-7-8-19-15(13)9-12/h2-9,19-20H,11H2,1H3
InChIKeyGUZQIJYMDALPBX-UHFFFAOYSA-N
XLogP3.66
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
2-[(3,4-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466691
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
3-methoxy-2-[[3-(methoxymethyl)phenyl]methylamino]benzonitrile
CID 107467080
2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466922
2-[(3-chloro-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466784
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174
4-bromo-N-(1H-indol-6-ylmethyl)-2-methoxy-6-methylaniline
CID 102910112
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
4-[(2,6-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106787022
2-[(2-bromo-4-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467448
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile?
The IUPAC name of 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile (CID 107466650) is 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile.
What is the SMILES notation for 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile?
The canonical SMILES for 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile is COc1cccc(C#N)c1NCc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile?
The InChIKey is GUZQIJYMDALPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-16-4-2-3-14(10-18)17(16)20-11-12-5-6-13-7-8-19-15(13)9-12/h2-9,19-20H,11H2,1H3.
What are the key properties of 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile?
2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile is sourced from PubChem (CID 107466650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).