5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile

C14H13FN2S — CID 114077912

IUPAC5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile
SMILESCCNCc1cc(F)ccc1-c1ccc(C#N)s1
InChIInChI=1S/C14H13FN2S/c1-2-17-9-10-7-11(15)3-5-13(10)14-6-4-12(8-16)18-14/h3-7,17H,2,9H2,1H3
InChIKeyFIBVZIXZIINNNI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.54
Rot. Bonds4

About 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile

5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile (PubChem CID 114077912) has the molecular formula C14H13FN2S and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile
PubChem CID114077912
Molecular FormulaC14H13FN2S
Molecular Weight260.34 g/mol
Exact Mass260.08
IUPAC Name5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile
SMILESCCNCc1cc(F)ccc1-c1ccc(C#N)s1
InChIInChI=1S/C14H13FN2S/c1-2-17-9-10-7-11(15)3-5-13(10)14-6-4-12(8-16)18-14/h3-7,17H,2,9H2,1H3
InChIKeyFIBVZIXZIINNNI-UHFFFAOYSA-N
XLogP3.54
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(propylaminomethyl)phenyl]thiophene-2-carbonitrile
CID 62067065
N-[[4-fluoro-2-(5-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 114060259
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile
CID 55030208
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
4-fluoro-2-[(2-methylprop-2-enylamino)methyl]benzonitrile
CID 107904916
4-fluoro-2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzonitrile
CID 106146937
4-fluoro-2-[(octylamino)methyl]benzonitrile
CID 107904656
2-[(decylamino)methyl]-4-fluorobenzonitrile
CID 107904517

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile (CID 114077912) is 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile is CCNCc1cc(F)ccc1-c1ccc(C#N)s1.
What is the InChIKey of 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile?
The InChIKey is FIBVZIXZIINNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2S/c1-2-17-9-10-7-11(15)3-5-13(10)14-6-4-12(8-16)18-14/h3-7,17H,2,9H2,1H3.
What are the key properties of 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile?
5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 114077912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).