2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile

C19H15FN2OS — CID 168510314

IUPAC2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)csc1OCc1ccc(CN)cc1
InChIInChI=1S/C19H15FN2OS/c20-16-7-5-15(6-8-16)18-12-24-19(17(18)10-22)23-11-14-3-1-13(9-21)2-4-14/h1-8,12H,9,11,21H2
InChIKeyRMINZFWSLOOUSR-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.46
Rot. Bonds5

About 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile

2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile (PubChem CID 168510314) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile
PubChem CID168510314
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)csc1OCc1ccc(CN)cc1
InChIInChI=1S/C19H15FN2OS/c20-16-7-5-15(6-8-16)18-12-24-19(17(18)10-22)23-11-14-3-1-13(9-21)2-4-14/h1-8,12H,9,11,21H2
InChIKeyRMINZFWSLOOUSR-UHFFFAOYSA-N
XLogP4.46
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-iodophenyl)methoxy]-4-phenylthiophene-3-carbonitrile
CID 137380518
4-phenyl-2-[[4-(thiadiazol-4-yl)phenyl]methoxy]thiophene-3-carbonitrile
CID 137404206
4-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethoxy)thiophene-3-carbonitrile
CID 137404215
4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile
CID 137403570
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-[[4-[(cyclopropylamino)methyl]phenyl]methoxy]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-3-carbonitrile
CID 137403651
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
4-(1,3-benzodioxol-5-yl)-2-[[4-[(3-methylsulfanylpropylamino)methyl]phenyl]methoxy]thiophene-3-carbonitrile
CID 137404248
4-(3,4-dichlorophenyl)-2-[[3-[(2-methoxyethylamino)methyl]phenyl]methoxy]thiophene-3-carbonitrile
CID 137403765
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
ethane;(4-fluorophenyl)methanamine
CID 142071105
4-[4-(aminomethyl)phenyl]-1H-pyrrole-3-carbonitrile
CID 174296309

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile (CID 168510314) is 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)csc1OCc1ccc(CN)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile?
The InChIKey is RMINZFWSLOOUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c20-16-7-5-15(6-8-16)18-12-24-19(17(18)10-22)23-11-14-3-1-13(9-21)2-4-14/h1-8,12H,9,11,21H2.
What are the key properties of 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile?
2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 168510314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).