4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline

C17H24N2S — CID 104501740

IUPAC4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
SMILESCC(CCN(C)CCc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C17H24N2S/c1-14(15-5-7-16(18)8-6-15)9-11-19(2)12-10-17-4-3-13-20-17/h3-8,13-14H,9-12,18H2,1-2H3
InChIKeyHDZIJRUVXOYPIC-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.00
Rot. Bonds7

About 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline

4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline (PubChem CID 104501740) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
PubChem CID104501740
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
SMILESCC(CCN(C)CCc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C17H24N2S/c1-14(15-5-7-16(18)8-6-15)9-11-19(2)12-10-17-4-3-13-20-17/h3-8,13-14H,9-12,18H2,1-2H3
InChIKeyHDZIJRUVXOYPIC-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.00
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

5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974
N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
CID 79488348
4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
CID 104501397
1-(4-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486454
1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486833
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265
N-ethyl-N'-methyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79490107
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
5-amino-1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]pyridin-2-one
CID 79476260

Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline (CID 104501740) is 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline is CC(CCN(C)CCc1cccs1)c1ccc(N)cc1.
What is the InChIKey of 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline?
The InChIKey is HDZIJRUVXOYPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-14(15-5-7-16(18)8-6-15)9-11-19(2)12-10-17-4-3-13-20-17/h3-8,13-14H,9-12,18H2,1-2H3.
What are the key properties of 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline?
4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline has a molecular weight of 288.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline is sourced from PubChem (CID 104501740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).