2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile

C14H14N2S — CID 43401659

IUPAC2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
SMILESCC(NCc1ccccc1C#N)c1cccs1
InChIInChI=1S/C14H14N2S/c1-11(14-7-4-8-17-14)16-10-13-6-3-2-5-12(13)9-15/h2-8,11,16H,10H2,1H3
InChIKeyRWLUHTSJKUTFNM-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.47
Rot. Bonds4

About 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile

2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile (PubChem CID 43401659) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
PubChem CID43401659
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
SMILESCC(NCc1ccccc1C#N)c1cccs1
InChIInChI=1S/C14H14N2S/c1-11(14-7-4-8-17-14)16-10-13-6-3-2-5-12(13)9-15/h2-8,11,16H,10H2,1H3
InChIKeyRWLUHTSJKUTFNM-UHFFFAOYSA-N
XLogP3.47
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
2-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzonitrile
CID 107935975
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
methyl 3-[(2-cyanophenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 104696216
3-methyl-4-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 104930148
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107935967
3-chloro-4-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 102664075
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581

Frequently Asked Questions

What is the IUPAC name of 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile?
The IUPAC name of 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile (CID 43401659) is 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile.
What is the SMILES notation for 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile?
The canonical SMILES for 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile is CC(NCc1ccccc1C#N)c1cccs1.
What is the InChIKey of 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile?
The InChIKey is RWLUHTSJKUTFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-11(14-7-4-8-17-14)16-10-13-6-3-2-5-12(13)9-15/h2-8,11,16H,10H2,1H3.
What are the key properties of 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile?
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile has a molecular weight of 242.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile is sourced from PubChem (CID 43401659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).