[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine

C12H15ClN2OS — CID 55073926

IUPAC[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine
SMILESCN(Cc1cc(CN)co1)Cc1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2OS/c1-15(7-11-2-3-12(13)17-11)6-10-4-9(5-14)8-16-10/h2-4,8H,5-7,14H2,1H3
InChIKeyIEMJKUVUTLVFOY-UHFFFAOYSA-N
MW270.79 g/mol
LogP3.09
Rot. Bonds5

About [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine

[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine (PubChem CID 55073926) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine
PubChem CID55073926
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine
SMILESCN(Cc1cc(CN)co1)Cc1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2OS/c1-15(7-11-2-3-12(13)17-11)6-10-4-9(5-14)8-16-10/h2-4,8H,5-7,14H2,1H3
InChIKeyIEMJKUVUTLVFOY-UHFFFAOYSA-N
XLogP3.09
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62429083
[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine
CID 62412264
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422969
2-amino-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]phenol
CID 61438284
2-bromo-5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]aniline
CID 113335086
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708
[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
CID 63289452
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine
CID 61439853
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
CID 103438323
N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
CID 81067939
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205

Frequently Asked Questions

What is the IUPAC name of [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine?
The IUPAC name of [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine (CID 55073926) is [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine is CN(Cc1cc(CN)co1)Cc1ccc(Cl)s1.
What is the InChIKey of [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine?
The InChIKey is IEMJKUVUTLVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-15(7-11-2-3-12(13)17-11)6-10-4-9(5-14)8-16-10/h2-4,8H,5-7,14H2,1H3.
What are the key properties of [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine?
[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine has a molecular weight of 270.79 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 55073926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).