N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine

C14H14ClF2NS — CID 107515360

IUPACN-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1F)c1sccc1Cl
InChIInChI=1S/C14H14ClF2NS/c1-3-18-13(14-10(15)6-7-19-14)9-5-4-8(2)11(16)12(9)17/h4-7,13,18H,3H2,1-2H3
InChIKeyJXTQMHKGKTVFQE-UHFFFAOYSA-N
MW301.79 g/mol
LogP4.69
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 107515360) has the molecular formula C14H14ClF2NS and a molecular weight of 301.79 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
PubChem CID107515360
Molecular FormulaC14H14ClF2NS
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC NameN-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1F)c1sccc1Cl
InChIInChI=1S/C14H14ClF2NS/c1-3-18-13(14-10(15)6-7-19-14)9-5-4-8(2)11(16)12(9)17/h4-7,13,18H,3H2,1-2H3
InChIKeyJXTQMHKGKTVFQE-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluoro-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 107515906
N-[(3-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477482
N-[(3-chlorothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 80529121
N-[(2-bromo-5-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]ethanamine
CID 80528998
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029
N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 80645264
N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 107515352

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine (CID 107515360) is N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(F)c1F)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is JXTQMHKGKTVFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NS/c1-3-18-13(14-10(15)6-7-19-14)9-5-4-8(2)11(16)12(9)17/h4-7,13,18H,3H2,1-2H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine has a molecular weight of 301.79 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107515360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).