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

C15H21ClN2S2 — CID 80727884

IUPACN-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2ccc(Cl)s2)c(C)s1
InChIInChI=1S/C15H21ClN2S2/c1-4-17-8-14-7-12(11(2)19-14)9-18(3)10-13-5-6-15(16)20-13/h5-7,17H,4,8-10H2,1-3H3
InChIKeyPJLQFJNVVHPTJY-UHFFFAOYSA-N
MW328.93 g/mol
LogP4.51
Rot. Bonds7

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

N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine (PubChem CID 80727884) has the molecular formula C15H21ClN2S2 and a molecular weight of 328.93 g/mol. Its IUPAC name is N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
PubChem CID80727884
Molecular FormulaC15H21ClN2S2
Molecular Weight328.93 g/mol
Exact Mass328.08
IUPAC NameN-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2ccc(Cl)s2)c(C)s1
InChIInChI=1S/C15H21ClN2S2/c1-4-17-8-14-7-12(11(2)19-14)9-18(3)10-13-5-6-15(16)20-13/h5-7,17H,4,8-10H2,1-3H3
InChIKeyPJLQFJNVVHPTJY-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.93
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62430691
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80727596
N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728370
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728608
N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
CID 80727866
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80727288
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 N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine (CID 80727884) is N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine is CCNCc1cc(CN(C)Cc2ccc(Cl)s2)c(C)s1.
What is the InChIKey of N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The InChIKey is PJLQFJNVVHPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2S2/c1-4-17-8-14-7-12(11(2)19-14)9-18(3)10-13-5-6-15(16)20-13/h5-7,17H,4,8-10H2,1-3H3.
What are the key properties of N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine has a molecular weight of 328.93 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80727884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).