N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

C14H18ClNOS — CID 80529030

IUPACN-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)c1c(C)oc(C)c1C
InChIInChI=1S/C14H18ClNOS/c1-5-16-13(14-11(15)6-7-18-14)12-8(2)9(3)17-10(12)4/h6-7,13,16H,5H2,1-4H3
InChIKeyLUCZXUBKLLLBLN-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.62
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (PubChem CID 80529030) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
PubChem CID80529030
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC NameN-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)c1c(C)oc(C)c1C
InChIInChI=1S/C14H18ClNOS/c1-5-16-13(14-11(15)6-7-18-14)12-8(2)9(3)17-10(12)4/h6-7,13,16H,5H2,1-4H3
InChIKeyLUCZXUBKLLLBLN-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 80528964
N-[(3-chlorothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 80529121
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107515360
N-[(2-bromo-6-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]ethanamine
CID 114559088
N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 107360030
N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107361874
N-[(3-chloro-4-methoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 65152874
N-[1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methyl]ethanamine
CID 107360124
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (CID 80529030) is N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is CCNC(c1sccc1Cl)c1c(C)oc(C)c1C.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is LUCZXUBKLLLBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-5-16-13(14-11(15)6-7-18-14)12-8(2)9(3)17-10(12)4/h6-7,13,16H,5H2,1-4H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 80529030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).