N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine

C16H22ClNOS — CID 115841861

IUPACN-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)c1c(C)oc(C)c1C
InChIInChI=1S/C16H22ClNOS/c1-5-8-18-14(9-13-6-7-15(17)20-13)16-10(2)11(3)19-12(16)4/h6-7,14,18H,5,8-9H2,1-4H3
InChIKeyLNWNYKYXQLCWKU-UHFFFAOYSA-N
MW311.88 g/mol
LogP5.20
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine

N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 115841861) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
PubChem CID115841861
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)c1c(C)oc(C)c1C
InChIInChI=1S/C16H22ClNOS/c1-5-8-18-14(9-13-6-7-15(17)20-13)16-10(2)11(3)19-12(16)4/h6-7,14,18H,5,8-9H2,1-4H3
InChIKeyLNWNYKYXQLCWKU-UHFFFAOYSA-N
XLogP5.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.88
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107102196
N-[1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841679
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842305
N-[1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841512
N-[1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63411936
N-[1-(3-bromo-4-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841797
N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105135164
N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine
CID 62599941
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
N-[1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841362
N-[1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841882

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine (CID 115841861) is N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)c1c(C)oc(C)c1C.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is LNWNYKYXQLCWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNOS/c1-5-8-18-14(9-13-6-7-15(17)20-13)16-10(2)11(3)19-12(16)4/h6-7,14,18H,5,8-9H2,1-4H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 311.88 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115841861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).