N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine

C15H17F2NS — CID 115851555

IUPACN-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1cc(C)c(C)s1
InChIInChI=1S/C15H17F2NS/c1-4-18-15(14-5-9(2)10(3)19-14)11-6-12(16)8-13(17)7-11/h5-8,15,18H,4H2,1-3H3
InChIKeyWKULYZRFVLAGEA-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.34
Rot. Bonds4

About N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine

N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 115851555) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID115851555
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1cc(C)c(C)s1
InChIInChI=1S/C15H17F2NS/c1-4-18-15(14-5-9(2)10(3)19-14)11-6-12(16)8-13(17)7-11/h5-8,15,18H,4H2,1-3H3
InChIKeyWKULYZRFVLAGEA-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115850996
N-[(2-chloro-4-fluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81045516
N-[(4,5-dibromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 80533963
N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749
N-[(2-chloro-4,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115484092
N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105044884
N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62790553
N-[(4-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105051409
N-[(4-chloro-2,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65239292
N-[(2,5-dibromo-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81472935
N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65237651

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 115851555) is N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1cc(C)c(C)s1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is WKULYZRFVLAGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-4-18-15(14-5-9(2)10(3)19-14)11-6-12(16)8-13(17)7-11/h5-8,15,18H,4H2,1-3H3.
What are the key properties of N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 281.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115851555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).