N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

C13H17ClN2OS — CID 62554030

IUPACN'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1ccco1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2OS/c1-16(10-12-4-5-13(14)18-12)7-6-15-9-11-3-2-8-17-11/h2-5,8,15H,6-7,9-10H2,1H3
InChIKeyMOYZSOMKMMMJDE-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.22
Rot. Bonds7

About N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62554030) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62554030
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1ccco1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2OS/c1-16(10-12-4-5-13(14)18-12)7-6-15-9-11-3-2-8-17-11/h2-5,8,15H,6-7,9-10H2,1H3
InChIKeyMOYZSOMKMMMJDE-UHFFFAOYSA-N
XLogP3.22
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62555017
N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558206
N'-[(4-chlorophenyl)methyl]-N-[(5-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 62556355
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
CID 47125656
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62559997
N-[(5-chlorothiophen-2-yl)methyl]-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 63726347
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
CID 62565568
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 60690550
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 62554031
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (CID 62554030) is N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCc1ccco1)Cc1ccc(Cl)s1.
What is the InChIKey of N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is MOYZSOMKMMMJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-16(10-12-4-5-13(14)18-12)7-6-15-9-11-3-2-8-17-11/h2-5,8,15H,6-7,9-10H2,1H3.
What are the key properties of N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 284.81 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62554030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).