1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine

C14H19ClFNS — CID 102622980

IUPAC1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine
SMILESNC(Cc1cc(F)ccc1Cl)CC1CCSCC1
InChIInChI=1S/C14H19ClFNS/c15-14-2-1-12(16)8-11(14)9-13(17)7-10-3-5-18-6-4-10/h1-2,8,10,13H,3-7,9,17H2
InChIKeyULDAQXHLEXHUNW-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.88
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine

1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine (PubChem CID 102622980) has the molecular formula C14H19ClFNS and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine
PubChem CID102622980
Molecular FormulaC14H19ClFNS
Molecular Weight287.83 g/mol
Exact Mass287.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine
SMILESNC(Cc1cc(F)ccc1Cl)CC1CCSCC1
InChIInChI=1S/C14H19ClFNS/c15-14-2-1-12(16)8-11(14)9-13(17)7-10-3-5-18-6-4-10/h1-2,8,10,13H,3-7,9,17H2
InChIKeyULDAQXHLEXHUNW-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105151400
1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
CID 102622536
2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 102618995
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(3,4-difluorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105175997
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
1-(2,4-difluorophenyl)-2-(thian-4-yl)ethanamine
CID 105143676
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine (CID 102622980) is 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine is NC(Cc1cc(F)ccc1Cl)CC1CCSCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine?
The InChIKey is ULDAQXHLEXHUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNS/c15-14-2-1-12(16)8-11(14)9-13(17)7-10-3-5-18-6-4-10/h1-2,8,10,13H,3-7,9,17H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine?
1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine has a molecular weight of 287.83 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 1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 102622980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).