N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine

C14H15F2NS — CID 78815768

IUPACN-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(F)c(F)c1)Cc1cccs1
InChIInChI=1S/C14H15F2NS/c1-2-17(10-12-4-3-7-18-12)9-11-5-6-13(15)14(16)8-11/h3-8H,2,9-10H2,1H3
InChIKeyXQYBUAVEKRJIAD-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.05
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine

N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 78815768) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID78815768
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(F)c(F)c1)Cc1cccs1
InChIInChI=1S/C14H15F2NS/c1-2-17(10-12-4-3-7-18-12)9-11-5-6-13(15)14(16)8-11/h3-8H,2,9-10H2,1H3
InChIKeyXQYBUAVEKRJIAD-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 106268693
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
2-bromo-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 113335085
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 63331319
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 61436627
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 78815768) is N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine is CCN(Cc1ccc(F)c(F)c1)Cc1cccs1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is XQYBUAVEKRJIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-2-17(10-12-4-3-7-18-12)9-11-5-6-13(15)14(16)8-11/h3-8H,2,9-10H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 267.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 78815768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).