1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C14H16FNS — CID 43180807

IUPAC1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNC(C)c1ccc(F)cc1
InChIInChI=1S/C14H16FNS/c1-10-7-8-17-14(10)9-16-11(2)12-3-5-13(15)6-4-12/h3-8,11,16H,9H2,1-2H3
InChIKeyHGYMFOLOQPFFST-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.05
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43180807) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43180807
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNC(C)c1ccc(F)cc1
InChIInChI=1S/C14H16FNS/c1-10-7-8-17-14(10)9-16-11(2)12-3-5-13(15)6-4-12/h3-8,11,16H,9H2,1-2H3
InChIKeyHGYMFOLOQPFFST-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 81350040
N-[(3-methylthiophen-2-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 79822198
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 78971653
1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43426705
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 64539925
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
(1S)-1-(3-methoxy-4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 97230685
2-[2-methoxy-4-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]ethanol
CID 110908335
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 43180807) is 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNC(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is HGYMFOLOQPFFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-10-7-8-17-14(10)9-16-11(2)12-3-5-13(15)6-4-12/h3-8,11,16H,9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43180807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).