2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline

C15H20N2S — CID 114016664

IUPAC2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCc1ccc(N(C)CCc2cccs2)c(CN)c1
InChIInChI=1S/C15H20N2S/c1-12-5-6-15(13(10-12)11-16)17(2)8-7-14-4-3-9-18-14/h3-6,9-10H,7-8,11,16H2,1-2H3
InChIKeyLLPLBPKYYTVEFM-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.19
Rot. Bonds5

About 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline

2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 114016664) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID114016664
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCc1ccc(N(C)CCc2cccs2)c(CN)c1
InChIInChI=1S/C15H20N2S/c1-12-5-6-15(13(10-12)11-16)17(2)8-7-14-4-3-9-18-14/h3-6,9-10H,7-8,11,16H2,1-2H3
InChIKeyLLPLBPKYYTVEFM-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107926098
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
4-(2-aminoethyl)-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 81166020
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
5-[2-(aminomethyl)-N,4-dimethylanilino]pentan-1-ol
CID 114016676
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
1-N-methyl-4-methylsulfonyl-1-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79476498
2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79476283

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline (CID 114016664) is 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline is Cc1ccc(N(C)CCc2cccs2)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is LLPLBPKYYTVEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12-5-6-15(13(10-12)11-16)17(2)8-7-14-4-3-9-18-14/h3-6,9-10H,7-8,11,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 260.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 114016664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).