N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine

C14H19F2NS — CID 105143690

IUPACN-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)C1CCSC1
InChIInChI=1S/C14H19F2NS/c1-2-6-17-14(10-5-7-18-9-10)12-4-3-11(15)8-13(12)16/h3-4,8,10,14,17H,2,5-7,9H2,1H3
InChIKeyNUEHWWBBEFTQID-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.76
Rot. Bonds5

About N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine

N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine (PubChem CID 105143690) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
PubChem CID105143690
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)C1CCSC1
InChIInChI=1S/C14H19F2NS/c1-2-6-17-14(10-5-7-18-9-10)12-4-3-11(15)8-13(12)16/h3-4,8,10,14,17H,2,5-7,9H2,1H3
InChIKeyNUEHWWBBEFTQID-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105143702
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
N-[(2-methylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105094654
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 107291699
N-[(4-bromothiophen-3-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105166760
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105180504
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102709683
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine (CID 105143690) is N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1F)C1CCSC1.
What is the InChIKey of N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine?
The InChIKey is NUEHWWBBEFTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-2-6-17-14(10-5-7-18-9-10)12-4-3-11(15)8-13(12)16/h3-4,8,10,14,17H,2,5-7,9H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine?
N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105143690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).