N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine

C13H13F2NS — CID 43182728

IUPACN-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1c(F)cccc1F)c1cccs1
InChIInChI=1S/C13H13F2NS/c1-9(13-6-3-7-17-13)16-8-10-11(14)4-2-5-12(10)15/h2-7,9,16H,8H2,1H3
InChIKeyNLGZHMAKPQWOJD-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.88
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine

N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43182728) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43182728
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1c(F)cccc1F)c1cccs1
InChIInChI=1S/C13H13F2NS/c1-9(13-6-3-7-17-13)16-8-10-11(14)4-2-5-12(10)15/h2-7,9,16H,8H2,1H3
InChIKeyNLGZHMAKPQWOJD-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 114165699
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
N-[(2,6-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952884
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
3-chloro-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 78959997
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398184
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine (CID 43182728) is N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1c(F)cccc1F)c1cccs1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is NLGZHMAKPQWOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c1-9(13-6-3-7-17-13)16-8-10-11(14)4-2-5-12(10)15/h2-7,9,16H,8H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine?
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 253.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43182728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).