2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile

C18H19N3 — CID 62097595

IUPAC2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
SMILESCc1ccccc1NC(C#N)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H19N3/c1-13-5-3-4-6-16(13)20-17(12-19)14-7-8-18-15(11-14)9-10-21(18)2/h3-8,11,17,20H,9-10H2,1-2H3
InChIKeyBCDFXLIQFKBYAV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile

2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile (PubChem CID 62097595) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
PubChem CID62097595
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
SMILESCc1ccccc1NC(C#N)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H19N3/c1-13-5-3-4-6-16(13)20-17(12-19)14-7-8-18-15(11-14)9-10-21(18)2/h3-8,11,17,20H,9-10H2,1-2H3
InChIKeyBCDFXLIQFKBYAV-UHFFFAOYSA-N
XLogP3.66
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
CID 62094989
2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile
CID 79984649
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62095168
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 51675076
3-hydroxy-2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132572
2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile
CID 55034834
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(2-methylanilino)acetonitrile
CID 60990498
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 55246340
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
CID 61004887
1-[hydroxy-(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclobutane-1-carbonitrile
CID 79133137
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 40890464

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile?
The IUPAC name of 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile (CID 62097595) is 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile?
The canonical SMILES for 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile is Cc1ccccc1NC(C#N)c1ccc2c(c1)CCN2C.
What is the InChIKey of 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile?
The InChIKey is BCDFXLIQFKBYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-5-3-4-6-16(13)20-17(12-19)14-7-8-18-15(11-14)9-10-21(18)2/h3-8,11,17,20H,9-10H2,1-2H3.
What are the key properties of 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile?
2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile is sourced from PubChem (CID 62097595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).