2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile

C15H15ClN2S — CID 43674304

IUPAC2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(NCc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H15ClN2S/c1-15(2,10-17)11-3-5-12(6-4-11)18-9-13-7-8-14(16)19-13/h3-8,18H,9H2,1-2H3
InChIKeyQLXQQTXIYWILMR-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.81
Rot. Bonds4

About 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile

2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile (PubChem CID 43674304) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile
PubChem CID43674304
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(NCc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H15ClN2S/c1-15(2,10-17)11-3-5-12(6-4-11)18-9-13-7-8-14(16)19-13/h3-8,18H,9H2,1-2H3
InChIKeyQLXQQTXIYWILMR-UHFFFAOYSA-N
XLogP4.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chlorothiophen-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788463
2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 114841599
4-butan-2-yl-N-[(5-chlorothiophen-2-yl)methyl]aniline
CID 43230074
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 66387054
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 28878881
6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
CID 115925207
5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 60930792
N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704692
4-[(5-chlorothiophen-2-yl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111778047
2-[4-(1H-imidazol-5-ylmethylamino)phenyl]-2-methylpropanenitrile
CID 62763178
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile (CID 43674304) is 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile is CC(C)(C#N)c1ccc(NCc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile?
The InChIKey is QLXQQTXIYWILMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-15(2,10-17)11-3-5-12(6-4-11)18-9-13-7-8-14(16)19-13/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile?
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile has a molecular weight of 290.82 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 43674304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).