4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline

C17H24N2S — CID 80556236

IUPAC4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
SMILESCCN(Cc1cccs1)CC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H24N2S/c1-4-19(12-16-6-5-11-20-16)13-17(2,3)14-7-9-15(18)10-8-14/h5-11H,4,12-13,18H2,1-3H3
InChIKeyCGVSYOJGXWWDAN-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.13
Rot. Bonds6

About 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline

4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline (PubChem CID 80556236) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
PubChem CID80556236
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
SMILESCCN(Cc1cccs1)CC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H24N2S/c1-4-19(12-16-6-5-11-20-16)13-17(2,3)14-7-9-15(18)10-8-14/h5-11H,4,12-13,18H2,1-3H3
InChIKeyCGVSYOJGXWWDAN-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
CID 62276440
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
CID 117048848
2-bromo-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 113335085
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 63331319
2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]phenol
CID 102048603

Frequently Asked Questions

What is the IUPAC name of 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline?
The IUPAC name of 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline (CID 80556236) is 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline.
What is the SMILES notation for 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline?
The canonical SMILES for 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline is CCN(Cc1cccs1)CC(C)(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline?
The InChIKey is CGVSYOJGXWWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-19(12-16-6-5-11-20-16)13-17(2,3)14-7-9-15(18)10-8-14/h5-11H,4,12-13,18H2,1-3H3.
What are the key properties of 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline?
4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline has a molecular weight of 288.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline is sourced from PubChem (CID 80556236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).