5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile

C16H18N2S — CID 107927221

IUPAC5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
SMILESCc1ccc(NC(c2cccs2)C(C)C)c(C#N)c1
InChIInChI=1S/C16H18N2S/c1-11(2)16(15-5-4-8-19-15)18-14-7-6-12(3)9-13(14)10-17/h4-9,11,16,18H,1-3H3
InChIKeyWAVFRCMBWCBBIN-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.74
Rot. Bonds4

About 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile

5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile (PubChem CID 107927221) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
PubChem CID107927221
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
SMILESCc1ccc(NC(c2cccs2)C(C)C)c(C#N)c1
InChIInChI=1S/C16H18N2S/c1-11(2)16(15-5-4-8-19-15)18-14-7-6-12(3)9-13(14)10-17/h4-9,11,16,18H,1-3H3
InChIKeyWAVFRCMBWCBBIN-UHFFFAOYSA-N
XLogP4.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107933549
2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43761105
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
5-methyl-2-(pentan-3-ylamino)benzonitrile
CID 107926818
4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 60667183
2,6-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenol
CID 43790172
2-[1-(4-bromophenyl)ethylamino]-5-methylbenzonitrile
CID 107927205
5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile
CID 107927181
3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 102815767
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The IUPAC name of 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile (CID 107927221) is 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile.
What is the SMILES notation for 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The canonical SMILES for 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile is Cc1ccc(NC(c2cccs2)C(C)C)c(C#N)c1.
What is the InChIKey of 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The InChIKey is WAVFRCMBWCBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-11(2)16(15-5-4-8-19-15)18-14-7-6-12(3)9-13(14)10-17/h4-9,11,16,18H,1-3H3.
What are the key properties of 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile has a molecular weight of 270.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile is sourced from PubChem (CID 107927221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).