2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile

C16H24N2 — CID 60647965

IUPAC2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
SMILESCC(C)Cc1ccc(C(C)NCC(C)C#N)cc1
InChIInChI=1S/C16H24N2/c1-12(2)9-15-5-7-16(8-6-15)14(4)18-11-13(3)10-17/h5-8,12-14,18H,9,11H2,1-4H3
InChIKeyCAMAFZFPEXVYMZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.70
Rot. Bonds6

About 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile

2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile (PubChem CID 60647965) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
PubChem CID60647965
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
SMILESCC(C)Cc1ccc(C(C)NCC(C)C#N)cc1
InChIInChI=1S/C16H24N2/c1-12(2)9-15-5-7-16(8-6-15)14(4)18-11-13(3)10-17/h5-8,12-14,18H,9,11H2,1-4H3
InChIKeyCAMAFZFPEXVYMZ-UHFFFAOYSA-N
XLogP3.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-3-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]propanenitrile
CID 94161296
2-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanenitrile
CID 62647085
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
CID 63964174
2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
CID 79538272
5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
CID 115651497
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
CID 106114426
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylpropanenitrile
CID 81365817
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 83076076

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile (CID 60647965) is 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile is CC(C)Cc1ccc(C(C)NCC(C)C#N)cc1.
What is the InChIKey of 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile?
The InChIKey is CAMAFZFPEXVYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)9-15-5-7-16(8-6-15)14(4)18-11-13(3)10-17/h5-8,12-14,18H,9,11H2,1-4H3.
What are the key properties of 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile?
2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile has a molecular weight of 244.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile is sourced from PubChem (CID 60647965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).