N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

C13H21ClN2OS — CID 28643425

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(CNCc1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C13H21ClN2OS/c1-13(2,16-5-7-17-8-6-16)10-15-9-11-3-4-12(14)18-11/h3-4,15H,5-10H2,1-2H3
InChIKeyOBYFOVPAGFHCTE-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.60
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 28643425) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID28643425
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(CNCc1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C13H21ClN2OS/c1-13(2,16-5-7-17-8-6-16)10-15-9-11-3-4-12(14)18-11/h3-4,15H,5-10H2,1-2H3
InChIKeyOBYFOVPAGFHCTE-UHFFFAOYSA-N
XLogP2.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 28643425) is N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is CC(C)(CNCc1ccc(Cl)s1)N1CCOCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is OBYFOVPAGFHCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-13(2,16-5-7-17-8-6-16)10-15-9-11-3-4-12(14)18-11/h3-4,15H,5-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 288.84 g/mol, XLogP of 2.60, 5 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]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 28643425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).