N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine

C14H19F2NS — CID 80626288

IUPACN-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1CCCCS1
InChIInChI=1S/C14H19F2NS/c1-2-17-14(13-5-3-4-8-18-13)11-9-10(15)6-7-12(11)16/h6-7,9,13-14,17H,2-5,8H2,1H3
InChIKeyROMHONFCIYSFLO-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.90
Rot. Bonds4

About N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine

N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine (PubChem CID 80626288) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
PubChem CID80626288
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1CCCCS1
InChIInChI=1S/C14H19F2NS/c1-2-17-14(13-5-3-4-8-18-13)11-9-10(15)6-7-12(11)16/h6-7,9,13-14,17H,2-5,8H2,1H3
InChIKeyROMHONFCIYSFLO-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[thiolan-2-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 80622741
N-[(3-fluoro-4-pyridinyl)-(thian-2-yl)methyl]ethanamine
CID 113447287
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
N-[(5-chloro-2-methoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626589
(2,5-difluorophenyl)-(thian-2-yl)methanamine
CID 80626352
N-[(4-fluoro-3-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622510
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627803
N-[2-(2,5-difluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626944
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(2,3-dimethylphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626492
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690
N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 82768915

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine (CID 80626288) is N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)C1CCCCS1.
What is the InChIKey of N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine?
The InChIKey is ROMHONFCIYSFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-2-17-14(13-5-3-4-8-18-13)11-9-10(15)6-7-12(11)16/h6-7,9,13-14,17H,2-5,8H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine is sourced from PubChem (CID 80626288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).