N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine

C13H14FNS — CID 43178818

IUPACN-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1ccccc1F)c1cccs1
InChIInChI=1S/C13H14FNS/c1-10(13-7-4-8-16-13)15-9-11-5-2-3-6-12(11)14/h2-8,10,15H,9H2,1H3
InChIKeyVQYAVAWCODWSGI-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.74
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine

N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43178818) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43178818
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC NameN-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1ccccc1F)c1cccs1
InChIInChI=1S/C13H14FNS/c1-10(13-7-4-8-16-13)15-9-11-5-2-3-6-12(11)14/h2-8,10,15H,9H2,1H3
InChIKeyVQYAVAWCODWSGI-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 43401659
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757
methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
CID 115462252
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine (CID 43178818) is N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1ccccc1F)c1cccs1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is VQYAVAWCODWSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-10(13-7-4-8-16-13)15-9-11-5-2-3-6-12(11)14/h2-8,10,15H,9H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine?
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43178818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).