N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine

C15H21F2NS — CID 105412296

IUPACN-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)C1CCSC1
InChIInChI=1S/C15H21F2NS/c1-2-4-18-15(12-3-5-19-10-12)8-11-6-13(16)9-14(17)7-11/h6-7,9,12,15,18H,2-5,8,10H2,1H3
InChIKeyYWJUOLNFHCKVPP-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.63
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine

N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine (PubChem CID 105412296) has the molecular formula C15H21F2NS and a molecular weight of 285.40 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
PubChem CID105412296
Molecular FormulaC15H21F2NS
Molecular Weight285.40 g/mol
Exact Mass285.14
IUPAC NameN-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)C1CCSC1
InChIInChI=1S/C15H21F2NS/c1-2-4-18-15(12-3-5-19-10-12)8-11-6-13(16)9-14(17)7-11/h6-7,9,12,15,18H,2-5,8,10H2,1H3
InChIKeyYWJUOLNFHCKVPP-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868
N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105177672
1-(3,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105412607
N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105133765
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
N-[2-(2-methoxy-5-methylphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105118116
N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 107312279
N-[2-(5-chloro-2-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105137354
N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406929
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105143690

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine (CID 105412296) is N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)cc(F)c1)C1CCSC1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The InChIKey is YWJUOLNFHCKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS/c1-2-4-18-15(12-3-5-19-10-12)8-11-6-13(16)9-14(17)7-11/h6-7,9,12,15,18H,2-5,8,10H2,1H3.
What are the key properties of N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine has a molecular weight of 285.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105412296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).