N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

C15H17F2NS — CID 102832497

IUPACN-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)c1ccsc1C
InChIInChI=1S/C15H17F2NS/c1-3-7-18-15(12-6-8-19-10(12)2)13-9-11(16)4-5-14(13)17/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeySLLBCNJYVCYQJD-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.42
Rot. Bonds5

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

N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102832497) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102832497
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)c1ccsc1C
InChIInChI=1S/C15H17F2NS/c1-3-7-18-15(12-6-8-19-10(12)2)13-9-11(16)4-5-14(13)17/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeySLLBCNJYVCYQJD-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841296
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-bromo-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495714
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[(5-chloro-2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840443
N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43495625
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102832497) is N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1F)c1ccsc1C.
What is the InChIKey of N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is SLLBCNJYVCYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-3-7-18-15(12-6-8-19-10(12)2)13-9-11(16)4-5-14(13)17/h4-6,8-9,15,18H,3,7H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102832497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).