2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile

C13H18N2 — CID 43115225

IUPAC2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(C)cc1C
InChIInChI=1S/C13H18N2/c1-4-7-15-13(9-14)12-6-5-10(2)8-11(12)3/h5-6,8,13,15H,4,7H2,1-3H3
InChIKeyZIASGDHXKDXTMX-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.87
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile

2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile (PubChem CID 43115225) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
PubChem CID43115225
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(C)cc1C
InChIInChI=1S/C13H18N2/c1-4-7-15-13(9-14)12-6-5-10(2)8-11(12)3/h5-6,8,13,15H,4,7H2,1-3H3
InChIKeyZIASGDHXKDXTMX-UHFFFAOYSA-N
XLogP2.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889345
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
2-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54892774
2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
CID 60997224
1-(2,4-dimethylphenyl)-N-propylbut-3-yn-1-amine
CID 114977787
N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651316
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
CID 43364620
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile (CID 43115225) is 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile is CCCNC(C#N)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile?
The InChIKey is ZIASGDHXKDXTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-7-15-13(9-14)12-6-5-10(2)8-11(12)3/h5-6,8,13,15H,4,7H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile?
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile has a molecular weight of 202.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile is sourced from PubChem (CID 43115225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).