N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine

C14H15BrClNO2 — CID 106684349

IUPACN-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)o1)c1ccc(OC)cc1Br
InChIInChI=1S/C14H15BrClNO2/c1-3-17-14(12-6-7-13(16)19-12)10-5-4-9(18-2)8-11(10)15/h4-8,14,17H,3H2,1-2H3
InChIKeyZKBOMJBCUXYNQL-UHFFFAOYSA-N
MW344.64 g/mol
LogP4.40
Rot. Bonds5

About N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine

N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine (PubChem CID 106684349) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
PubChem CID106684349
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC NameN-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)o1)c1ccc(OC)cc1Br
InChIInChI=1S/C14H15BrClNO2/c1-3-17-14(12-6-7-13(16)19-12)10-5-4-9(18-2)8-11(10)15/h4-8,14,17H,3H2,1-2H3
InChIKeyZKBOMJBCUXYNQL-UHFFFAOYSA-N
XLogP4.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 106684326
N-[(5-chlorofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
CID 106684353
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562053
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[(2-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62514992
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696
N-[(2-bromo-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63210003

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine (CID 106684349) is N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)o1)c1ccc(OC)cc1Br.
What is the InChIKey of N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine?
The InChIKey is ZKBOMJBCUXYNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-3-17-14(12-6-7-13(16)19-12)10-5-4-9(18-2)8-11(10)15/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine?
N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine has a molecular weight of 344.64 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 106684349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).