1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine

C12H15ClN2OS — CID 79427830

IUPAC1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccco1)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C12H15ClN2OS/c1-15(7-10-3-2-4-16-10)11(6-14)12-5-9(13)8-17-12/h2-5,8,11H,6-7,14H2,1H3
InChIKeyDHMCCZZFZADIHE-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine (PubChem CID 79427830) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
PubChem CID79427830
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccco1)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C12H15ClN2OS/c1-15(7-10-3-2-4-16-10)11(6-14)12-5-9(13)8-17-12/h2-5,8,11H,6-7,14H2,1H3
InChIKeyDHMCCZZFZADIHE-UHFFFAOYSA-N
XLogP3.13
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 114842877
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
CID 105414053
1-(4-chlorothiophen-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79427953
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-yl)-N-methylethane-1,2-diamine
CID 61438216
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156
2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
CID 61099442
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840356
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
1-(4-chlorothiophen-2-yl)-N-(cyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 79428176

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine (CID 79427830) is 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine is CN(Cc1ccco1)C(CN)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is DHMCCZZFZADIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-15(7-10-3-2-4-16-10)11(6-14)12-5-9(13)8-17-12/h2-5,8,11H,6-7,14H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 270.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 79427830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).