2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

C16H22N2S — CID 107926098

IUPAC2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCc1ccc(N(Cc2cccs2)C(C)C)c(CN)c1
InChIInChI=1S/C16H22N2S/c1-12(2)18(11-15-5-4-8-19-15)16-7-6-13(3)9-14(16)10-17/h4-9,12H,10-11,17H2,1-3H3
InChIKeyXQMUHGLOZGOHQR-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.93
Rot. Bonds5

About 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 107926098) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID107926098
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCc1ccc(N(Cc2cccs2)C(C)C)c(CN)c1
InChIInChI=1S/C16H22N2S/c1-12(2)18(11-15-5-4-8-19-15)16-7-6-13(3)9-14(16)10-17/h4-9,12H,10-11,17H2,1-3H3
InChIKeyXQMUHGLOZGOHQR-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
CID 61452163
(1S)-1-[3-chloro-4-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940291

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (CID 107926098) is 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is Cc1ccc(N(Cc2cccs2)C(C)C)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is XQMUHGLOZGOHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(2)18(11-15-5-4-8-19-15)16-7-6-13(3)9-14(16)10-17/h4-9,12H,10-11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 274.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 107926098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).