4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline

C17H24N2S — CID 63815482

IUPAC4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1ccc(CC(C)N)cc1C
InChIInChI=1S/C17H24N2S/c1-4-19(12-16-6-5-9-20-16)17-8-7-15(10-13(17)2)11-14(3)18/h5-10,14H,4,11-12,18H2,1-3H3
InChIKeyZMSZIDDJNZXGSG-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.97
Rot. Bonds6

About 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline

4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 63815482) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID63815482
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1ccc(CC(C)N)cc1C
InChIInChI=1S/C17H24N2S/c1-4-19(12-16-6-5-9-20-16)17-8-7-15(10-13(17)2)11-14(3)18/h5-10,14H,4,11-12,18H2,1-3H3
InChIKeyZMSZIDDJNZXGSG-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940163
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 64542947

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline (CID 63815482) is 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline is CCN(Cc1cccs1)c1ccc(CC(C)N)cc1C.
What is the InChIKey of 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is ZMSZIDDJNZXGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-19(12-16-6-5-9-20-16)17-8-7-15(10-13(17)2)11-14(3)18/h5-10,14H,4,11-12,18H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline?
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 288.46 g/mol, XLogP of 3.97, 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-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 63815482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).