N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine

C13H12Br2ClNO — CID 81291306

IUPACN-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(Cl)c1)c1ccc(Br)o1
InChIInChI=1S/C13H12Br2ClNO/c1-2-17-13(11-5-6-12(15)18-11)8-3-4-9(14)10(16)7-8/h3-7,13,17H,2H2,1H3
InChIKeyZUQBMEYRLLHXLY-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.16
Rot. Bonds4

About N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine

N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine (PubChem CID 81291306) has the molecular formula C13H12Br2ClNO and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
PubChem CID81291306
Molecular FormulaC13H12Br2ClNO
Molecular Weight393.51 g/mol
Exact Mass390.90
IUPAC NameN-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(Cl)c1)c1ccc(Br)o1
InChIInChI=1S/C13H12Br2ClNO/c1-2-17-13(11-5-6-12(15)18-11)8-3-4-9(14)10(16)7-8/h3-7,13,17H,2H2,1H3
InChIKeyZUQBMEYRLLHXLY-UHFFFAOYSA-N
XLogP5.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[(5-bromofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283890
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781
N-[(4-bromo-3-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81290677
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(4-bromo-3-chlorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 81290003
N-[(4-bromo-3-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methyl]ethanamine
CID 81291036
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025
N-[(4-bromo-3-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 81291295
N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022476
N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43489829

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine (CID 81291306) is N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)c(Cl)c1)c1ccc(Br)o1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine?
The InChIKey is ZUQBMEYRLLHXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2ClNO/c1-2-17-13(11-5-6-12(15)18-11)8-3-4-9(14)10(16)7-8/h3-7,13,17H,2H2,1H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine?
N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine has a molecular weight of 393.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 81291306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).