2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

C14H13ClN2OS — CID 104816461

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)NCc1cccs1
InChIInChI=1S/C14H13ClN2OS/c1-18-13-6-2-5-11(15)14(13)12(8-16)17-9-10-4-3-7-19-10/h2-7,12,17H,9H2,1H3
InChIKeyVRPZJUASPIPVAD-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.76
Rot. Bonds5

About 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 104816461) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID104816461
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)NCc1cccs1
InChIInChI=1S/C14H13ClN2OS/c1-18-13-6-2-5-11(15)14(13)12(8-16)17-9-10-4-3-7-19-10/h2-7,12,17H,9H2,1H3
InChIKeyVRPZJUASPIPVAD-UHFFFAOYSA-N
XLogP3.76
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887515
2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile
CID 104816442
2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
CID 104816454
2-(4-bromoanilino)-2-(2-chloro-6-methoxyphenyl)acetonitrile
CID 104816447
2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 61055196
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile
CID 104819014
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833
2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887054
3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61318743

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (CID 104816461) is 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is COc1cccc(Cl)c1C(C#N)NCc1cccs1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is VRPZJUASPIPVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-18-13-6-2-5-11(15)14(13)12(8-16)17-9-10-4-3-7-19-10/h2-7,12,17H,9H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 292.79 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 104816461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).