4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline

C13H15ClN2S — CID 115212752

IUPAC4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
SMILESCNc1ccc(CNCc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H15ClN2S/c1-15-11-4-2-10(3-5-11)8-16-9-12-6-7-13(14)17-12/h2-7,15-16H,8-9H2,1H3
InChIKeyTXOPICKJQHRXKU-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.73
Rot. Bonds5

About 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline

4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline (PubChem CID 115212752) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
PubChem CID115212752
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
SMILESCNc1ccc(CNCc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H15ClN2S/c1-15-11-4-2-10(3-5-11)8-16-9-12-6-7-13(14)17-12/h2-7,15-16H,8-9H2,1H3
InChIKeyTXOPICKJQHRXKU-UHFFFAOYSA-N
XLogP3.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 29047393
tert-butyl N-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]carbamate
CID 107239497
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 60711247
2-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]propanoic acid
CID 103254652
1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 63001164
N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712760
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 28643615
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 54898237
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 114452910
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 113223446
1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 55598709

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline?
The IUPAC name of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline (CID 115212752) is 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline.
What is the SMILES notation for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline?
The canonical SMILES for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline is CNc1ccc(CNCc2ccc(Cl)s2)cc1.
What is the InChIKey of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline?
The InChIKey is TXOPICKJQHRXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-15-11-4-2-10(3-5-11)8-16-9-12-6-7-13(14)17-12/h2-7,15-16H,8-9H2,1H3.
What are the key properties of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline?
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline has a molecular weight of 266.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline is sourced from PubChem (CID 115212752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).