1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C14H15F2NS — CID 43223863

IUPAC1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H15F2NS/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h3-7,10,17H,8H2,1-2H3
InChIKeyYZVZOITWUKCCII-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.19
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43223863) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43223863
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H15F2NS/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h3-7,10,17H,8H2,1-2H3
InChIKeyYZVZOITWUKCCII-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 102832045
1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43078567
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine
CID 81301146
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
5-[[1-(3-fluoro-4-methylphenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 103256955
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
1-(3,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 60694808
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 43223863) is 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccc(F)c(F)c2)s1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is YZVZOITWUKCCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h3-7,10,17H,8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 267.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43223863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).