1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine

C17H25F2NS — CID 105105020

IUPAC1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1F)CC1CCSCC1
InChIInChI=1S/C17H25F2NS/c1-2-7-20-16(10-13-5-8-21-9-6-13)12-14-11-15(18)3-4-17(14)19/h3-4,11,13,16,20H,2,5-10,12H2,1H3
InChIKeyYYSJYFTUPLRLFV-UHFFFAOYSA-N
MW313.46 g/mol
LogP4.41
Rot. Bonds7

About 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine

1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine (PubChem CID 105105020) has the molecular formula C17H25F2NS and a molecular weight of 313.46 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
PubChem CID105105020
Molecular FormulaC17H25F2NS
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1F)CC1CCSCC1
InChIInChI=1S/C17H25F2NS/c1-2-7-20-16(10-13-5-8-21-9-6-13)12-14-11-15(18)3-4-17(14)19/h3-4,11,13,16,20H,2,5-10,12H2,1H3
InChIKeyYYSJYFTUPLRLFV-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105412607
4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
CID 115809797
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
N-[2-(2,5-difluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626944
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62798826
1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103049082
1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602
1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105142551

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine (CID 105105020) is 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine is CCCNC(Cc1cc(F)ccc1F)CC1CCSCC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine?
The InChIKey is YYSJYFTUPLRLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NS/c1-2-7-20-16(10-13-5-8-21-9-6-13)12-14-11-15(18)3-4-17(14)19/h3-4,11,13,16,20H,2,5-10,12H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine?
1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine has a molecular weight of 313.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105105020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).