N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine

C10H15F2NS — CID 103517279

IUPACN-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C(F)F
InChIInChI=1S/C10H15F2NS/c1-3-5-13-9(10(11)12)8-4-6-14-7(8)2/h4,6,9-10,13H,3,5H2,1-2H3
InChIKeyCTELKFVFCYDWFL-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.36
Rot. Bonds5

About N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine

N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine (PubChem CID 103517279) has the molecular formula C10H15F2NS and a molecular weight of 219.30 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
PubChem CID103517279
Molecular FormulaC10H15F2NS
Molecular Weight219.30 g/mol
Exact Mass219.09
IUPAC NameN-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C(F)F
InChIInChI=1S/C10H15F2NS/c1-3-5-13-9(10(11)12)8-4-6-14-7(8)2/h4,6,9-10,13H,3,5H2,1-2H3
InChIKeyCTELKFVFCYDWFL-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
CID 102841986
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
CID 107361897
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841296
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841988
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102840731
N-[(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834065

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine (CID 103517279) is N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine is CCCNC(c1ccsc1C)C(F)F.
What is the InChIKey of N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is CTELKFVFCYDWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NS/c1-3-5-13-9(10(11)12)8-4-6-14-7(8)2/h4,6,9-10,13H,3,5H2,1-2H3.
What are the key properties of N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine?
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103517279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).