N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine

C15H20ClNOS — CID 102764082

IUPACN-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)s1)c1cc(C)oc1C
InChIInChI=1S/C15H20ClNOS/c1-5-6-17-14(12-8-10(3)18-11(12)4)13-7-9(2)15(16)19-13/h7-8,14,17H,5-6H2,1-4H3
InChIKeyGSHWJHSZQJUEHO-UHFFFAOYSA-N
MW297.85 g/mol
LogP5.01
Rot. Bonds5

About N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine

N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 102764082) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID102764082
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC NameN-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)s1)c1cc(C)oc1C
InChIInChI=1S/C15H20ClNOS/c1-5-6-17-14(12-8-10(3)18-11(12)4)13-7-9(2)15(16)19-13/h7-8,14,17H,5-6H2,1-4H3
InChIKeyGSHWJHSZQJUEHO-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.85
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 102764221
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 102764769
N-[(2-chloro-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 102764118
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194
N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496090
N-[(2,3-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63502105
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 102764197
N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63047740
N-[(5-bromo-2-chlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503979
N-[(4-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503981
N-[(2,6-difluoro-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82797631
N-[(3-chloro-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82875567

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (CID 102764082) is N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)c(Cl)s1)c1cc(C)oc1C.
What is the InChIKey of N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is GSHWJHSZQJUEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-5-6-17-14(12-8-10(3)18-11(12)4)13-7-9(2)15(16)19-13/h7-8,14,17H,5-6H2,1-4H3.
What are the key properties of N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 297.85 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102764082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).