4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline

C16H20F2N2S — CID 63815129

IUPAC4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C16H20F2N2S/c1-3-20(10-13-5-4-6-21-13)16-14(17)8-12(7-11(2)19)9-15(16)18/h4-6,8-9,11H,3,7,10,19H2,1-2H3
InChIKeyHPJJQLKXWDCBDK-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.94
Rot. Bonds6

About 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline

4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 63815129) has the molecular formula C16H20F2N2S and a molecular weight of 310.41 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID63815129
Molecular FormulaC16H20F2N2S
Molecular Weight310.41 g/mol
Exact Mass310.13
IUPAC Name4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C16H20F2N2S/c1-3-20(10-13-5-4-6-21-13)16-14(17)8-12(7-11(2)19)9-15(16)18/h4-6,8-9,11H,3,7,10,19H2,1-2H3
InChIKeyHPJJQLKXWDCBDK-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63815482
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline
CID 63795420
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline (CID 63815129) is 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline is CCN(Cc1cccs1)c1c(F)cc(CC(C)N)cc1F.
What is the InChIKey of 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is HPJJQLKXWDCBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2S/c1-3-20(10-13-5-4-6-21-13)16-14(17)8-12(7-11(2)19)9-15(16)18/h4-6,8-9,11H,3,7,10,19H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline?
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 310.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 63815129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).