N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine

C14H17BrClNOS — CID 102828702

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H17BrClNOS/c1-3-7-17-13(11-6-5-9(4-2)18-11)12-8-10(15)14(16)19-12/h5-6,8,13,17H,3-4,7H2,1-2H3
InChIKeyKLNPVFSKJJZBCR-UHFFFAOYSA-N
MW362.72 g/mol
LogP5.41
Rot. Bonds6

About N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine

N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine (PubChem CID 102828702) has the molecular formula C14H17BrClNOS and a molecular weight of 362.72 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
PubChem CID102828702
Molecular FormulaC14H17BrClNOS
Molecular Weight362.72 g/mol
Exact Mass360.99
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H17BrClNOS/c1-3-7-17-13(11-6-5-9(4-2)18-11)12-8-10(15)14(16)19-12/h5-6,8,13,17H,3-4,7H2,1-2H3
InChIKeyKLNPVFSKJJZBCR-UHFFFAOYSA-N
XLogP5.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.72
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 102827978
N-[(4-bromo-5-chlorothiophen-2-yl)-(2-bromo-4-fluorophenyl)methyl]propan-1-amine
CID 102828790
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 102828798
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 102828676
N-[(4-bromo-5-chlorothiophen-2-yl)-(4-chloro-3-fluorophenyl)methyl]propan-1-amine
CID 107998958
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 81156942
N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 106861060
1-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-propylbutan-1-amine
CID 102828697
N-[(3-bromo-4-chlorophenyl)-[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 107998930
N-[(5-ethylfuran-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 55061752
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine (CID 102828702) is N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)o1)c1cc(Br)c(Cl)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is KLNPVFSKJJZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNOS/c1-3-7-17-13(11-6-5-9(4-2)18-11)12-8-10(15)14(16)19-12/h5-6,8,13,17H,3-4,7H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 362.72 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102828702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).