N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine

C15H19ClN2S — CID 62554031

IUPACN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NCCN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H19ClN2S/c1-12-5-3-4-6-14(12)17-9-10-18(2)11-13-7-8-15(16)19-13/h3-8,17H,9-11H2,1-2H3
InChIKeyFQSQJVZZIXSHJO-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.25
Rot. Bonds6

About N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine

N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 62554031) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID62554031
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC NameN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NCCN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H19ClN2S/c1-12-5-3-4-6-14(12)17-9-10-18(2)11-13-7-8-15(16)19-13/h3-8,17H,9-11H2,1-2H3
InChIKeyFQSQJVZZIXSHJO-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 24589254
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62554030
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]isoindole-1,3-dione
CID 8787066
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
CID 141424845
N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114238373
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 55144815
N'-[(5-chlorothiophen-2-yl)methyl]-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618933
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62555017
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine (CID 62554031) is N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1NCCN(C)Cc1ccc(Cl)s1.
What is the InChIKey of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is FQSQJVZZIXSHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-12-5-3-4-6-14(12)17-9-10-18(2)11-13-7-8-15(16)19-13/h3-8,17H,9-11H2,1-2H3.
What are the key properties of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine?
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 294.85 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62554031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).