N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

C16H23ClN2OS — CID 62429083

IUPACN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1cc(CNC(C)(C)C)co1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H23ClN2OS/c1-16(2,3)18-8-12-7-13(20-11-12)9-19(4)10-14-5-6-15(17)21-14/h5-7,11,18H,8-10H2,1-4H3
InChIKeyNSIGPSMXNNRSMQ-UHFFFAOYSA-N
MW326.89 g/mol
LogP4.51
Rot. Bonds6

About N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62429083) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62429083
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC NameN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1cc(CNC(C)(C)C)co1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H23ClN2OS/c1-16(2,3)18-8-12-7-13(20-11-12)9-19(4)10-14-5-6-15(17)21-14/h5-7,11,18H,8-10H2,1-4H3
InChIKeyNSIGPSMXNNRSMQ-UHFFFAOYSA-N
XLogP4.51
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (CID 62429083) is N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is CN(Cc1cc(CNC(C)(C)C)co1)Cc1ccc(Cl)s1.
What is the InChIKey of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NSIGPSMXNNRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-16(2,3)18-8-12-7-13(20-11-12)9-19(4)10-14-5-6-15(17)21-14/h5-7,11,18H,8-10H2,1-4H3.
What are the key properties of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 326.89 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62429083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).