1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine

C13H14FNS — CID 94897962

IUPAC1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1ccsc1
InChIInChI=1S/C13H14FNS/c1-15(9-12-6-7-16-10-12)8-11-2-4-13(14)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyQPZIEWYFIVTZQJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine

1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 94897962) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
PubChem CID94897962
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1ccsc1
InChIInChI=1S/C13H14FNS/c1-15(9-12-6-7-16-10-12)8-11-2-4-13(14)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyQPZIEWYFIVTZQJ-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine (CID 94897962) is 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine is CN(Cc1ccc(F)cc1)Cc1ccsc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is QPZIEWYFIVTZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-15(9-12-6-7-16-10-12)8-11-2-4-13(14)5-3-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 94897962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).