5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline

C15H19ClN2S — CID 79476388

IUPAC5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline
SMILESCC(Cc1cccs1)N(C)Cc1ccc(Cl)cc1N
InChIInChI=1S/C15H19ClN2S/c1-11(8-14-4-3-7-19-14)18(2)10-12-5-6-13(16)9-15(12)17/h3-7,9,11H,8,10,17H2,1-2H3
InChIKeyZIFSVGKUAJCJLZ-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.05
Rot. Bonds5

About 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline

5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline (PubChem CID 79476388) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline
PubChem CID79476388
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline
SMILESCC(Cc1cccs1)N(C)Cc1ccc(Cl)cc1N
InChIInChI=1S/C15H19ClN2S/c1-11(8-14-4-3-7-19-14)18(2)10-12-5-6-13(16)9-15(12)17/h3-7,9,11H,8,10,17H2,1-2H3
InChIKeyZIFSVGKUAJCJLZ-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.05
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

2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 114861946
4-fluoro-3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]benzenecarbothioamide
CID 79477781
[2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79486657
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
5-chloro-6-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyridin-2-amine
CID 79486505
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
[2-fluoro-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79489167
6-methyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyrimidin-4-amine
CID 80657795
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-6-nitroaniline
CID 107351440
N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485743
N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494320
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline?
The IUPAC name of 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline (CID 79476388) is 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline?
The canonical SMILES for 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline is CC(Cc1cccs1)N(C)Cc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline?
The InChIKey is ZIFSVGKUAJCJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11(8-14-4-3-7-19-14)18(2)10-12-5-6-13(16)9-15(12)17/h3-7,9,11H,8,10,17H2,1-2H3.
What are the key properties of 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline?
5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline has a molecular weight of 294.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 79476388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).