2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile

C15H20N2 — CID 43674409

IUPAC2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile
SMILESCC(Nc1ccc(C(C)(C)C#N)cc1)C1CC1
InChIInChI=1S/C15H20N2/c1-11(12-4-5-12)17-14-8-6-13(7-9-14)15(2,3)10-16/h6-9,11-12,17H,4-5H2,1-3H3
InChIKeyXDWBLMOOPFPGJB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile

2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile (PubChem CID 43674409) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile
PubChem CID43674409
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile
SMILESCC(Nc1ccc(C(C)(C)C#N)cc1)C1CC1
InChIInChI=1S/C15H20N2/c1-11(12-4-5-12)17-14-8-6-13(7-9-14)15(2,3)10-16/h6-9,11-12,17H,4-5H2,1-3H3
InChIKeyXDWBLMOOPFPGJB-UHFFFAOYSA-N
XLogP3.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Methylenebis(N-methylaniline)
CID 15735
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
N-Ethyl-p-toluidine
CID 61164
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
4-Dimethylaminophenethylamine
CID 151268
3-(O-Toluidino)propionitrile
CID 256834
(1-Phenyl-ethyl)-P-tolyl-amine
CID 263002
N,2-Diphenylglycinonitrile
CID 345685
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
3-(Cyclohexylamino)benzonitrile
CID 16108886
N',N'-diethyl-N-(4-phenylphenyl)propane-1,3-diamine
CID 458749

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile (CID 43674409) is 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile is CC(Nc1ccc(C(C)(C)C#N)cc1)C1CC1.
What is the InChIKey of 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile?
The InChIKey is XDWBLMOOPFPGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11(12-4-5-12)17-14-8-6-13(7-9-14)15(2,3)10-16/h6-9,11-12,17H,4-5H2,1-3H3.
What are the key properties of 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile?
2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropylethylamino)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 43674409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).