2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile

C15H21N3 — CID 62975960

IUPAC2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile
SMILESCN1CCC(Nc2ccc(C(C)(C)C#N)cc2)C1
InChIInChI=1S/C15H21N3/c1-15(2,11-16)12-4-6-13(7-5-12)17-14-8-9-18(3)10-14/h4-7,14,17H,8-10H2,1-3H3
InChIKeyILXROZBDYRVATA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.60
Rot. Bonds3

About 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile

2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile (PubChem CID 62975960) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile
PubChem CID62975960
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile
SMILESCN1CCC(Nc2ccc(C(C)(C)C#N)cc2)C1
InChIInChI=1S/C15H21N3/c1-15(2,11-16)12-4-6-13(7-5-12)17-14-8-9-18(3)10-14/h4-7,14,17H,8-10H2,1-3H3
InChIKeyILXROZBDYRVATA-UHFFFAOYSA-N
XLogP2.60
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclooctylamino)phenyl]-2-methylpropanenitrile
CID 43674341
2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile
CID 43674349
1-methyl-N-(4-piperidin-1-ylphenyl)pyrrolidin-3-amine
CID 55139850
4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
CID 62976548
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
2-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile
CID 64762398
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanenitrile
CID 61308022
2-tert-butyl-N-(1-methylpyrrolidin-3-yl)-3H-benzimidazol-5-amine
CID 62975044
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499
2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile
CID 43674409
1-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile (CID 62975960) is 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile is CN1CCC(Nc2ccc(C(C)(C)C#N)cc2)C1.
What is the InChIKey of 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile?
The InChIKey is ILXROZBDYRVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,11-16)12-4-6-13(7-5-12)17-14-8-9-18(3)10-14/h4-7,14,17H,8-10H2,1-3H3.
What are the key properties of 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile?
2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile has a molecular weight of 243.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]propanenitrile is sourced from PubChem (CID 62975960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).