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

C14H18N2 — CID 60997224

IUPAC2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NCC2CC2)c(C)c1
InChIInChI=1S/C14H18N2/c1-10-3-6-13(11(2)7-10)14(8-15)16-9-12-4-5-12/h3,6-7,12,14,16H,4-5,9H2,1-2H3
InChIKeyBIRHRAJTYZYYMI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.87
Rot. Bonds4

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

2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile (PubChem CID 60997224) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
PubChem CID60997224
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NCC2CC2)c(C)c1
InChIInChI=1S/C14H18N2/c1-10-3-6-13(11(2)7-10)14(8-15)16-9-12-4-5-12/h3,6-7,12,14,16H,4-5,9H2,1-2H3
InChIKeyBIRHRAJTYZYYMI-UHFFFAOYSA-N
XLogP2.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54892774
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
CID 62414881
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889345
2-(cyclopropylmethylamino)-2-(3-methoxyphenyl)acetonitrile
CID 60997226
2-(cyclopropylmethylamino)-2-isoquinolin-4-ylacetonitrile
CID 104504229
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055219
2-(2,4-dimethylphenyl)-2-methoxyacetonitrile
CID 66070287

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile (CID 60997224) is 2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile is Cc1ccc(C(C#N)NCC2CC2)c(C)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile?
The InChIKey is BIRHRAJTYZYYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-3-6-13(11(2)7-10)14(8-15)16-9-12-4-5-12/h3,6-7,12,14,16H,4-5,9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile?
2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile has a molecular weight of 214.31 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-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile is sourced from PubChem (CID 60997224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).