2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline

C16H22N2S — CID 43729313

IUPAC2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCc1ccsc1
InChIInChI=1S/C16H22N2S/c1-3-18(4-2)12-15-7-5-6-8-16(15)17-11-14-9-10-19-13-14/h5-10,13,17H,3-4,11-12H2,1-2H3
InChIKeyNYDUIHHRRMKJGJ-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.20
Rot. Bonds7

About 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline

2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43729313) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
PubChem CID43729313
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCc1ccsc1
InChIInChI=1S/C16H22N2S/c1-3-18(4-2)12-15-7-5-6-8-16(15)17-11-14-9-10-19-13-14/h5-10,13,17H,3-4,11-12H2,1-2H3
InChIKeyNYDUIHHRRMKJGJ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(diethylaminomethyl)anilino]methyl]phenol
CID 43729325
2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399592
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43729358
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111938865
[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
CID 64580557
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
N'-tert-butyl-N-[2-(diethylaminomethyl)phenyl]ethane-1,2-diamine
CID 107445154
N-[[2-(2,2-diethylhydrazinyl)phenyl]methyl]-N-ethylethanamine
CID 101120062
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline (CID 43729313) is 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline is CCN(CC)Cc1ccccc1NCc1ccsc1.
What is the InChIKey of 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is NYDUIHHRRMKJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-18(4-2)12-15-7-5-6-8-16(15)17-11-14-9-10-19-13-14/h5-10,13,17H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline?
2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 274.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43729313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).