3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

C15H20N2S — CID 102813686

IUPAC3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)N(Cc1cccs1)c1cccc(CN)c1
InChIInChI=1S/C15H20N2S/c1-12(2)17(11-15-7-4-8-18-15)14-6-3-5-13(9-14)10-16/h3-9,12H,10-11,16H2,1-2H3
InChIKeyVMKXAOQBKBAOEL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.62
Rot. Bonds5

About 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 102813686) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID102813686
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)N(Cc1cccs1)c1cccc(CN)c1
InChIInChI=1S/C15H20N2S/c1-12(2)17(11-15-7-4-8-18-15)14-6-3-5-13(9-14)10-16/h3-9,12H,10-11,16H2,1-2H3
InChIKeyVMKXAOQBKBAOEL-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107926098
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 102770501
2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 54946766
5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634233

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (CID 102813686) is 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is CC(C)N(Cc1cccs1)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is VMKXAOQBKBAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(2)17(11-15-7-4-8-18-15)14-6-3-5-13(9-14)10-16/h3-9,12H,10-11,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 260.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 102813686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).