N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine

C13H13BrClNO — CID 114269039

IUPACN-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1c(Cl)cccc1Br
InChIInChI=1S/C13H13BrClNO/c1-2-16-13(9-6-7-17-8-9)12-10(14)4-3-5-11(12)15/h3-8,13,16H,2H2,1H3
InChIKeyKMKBFDOXEKRHHJ-UHFFFAOYSA-N
MW314.61 g/mol
LogP4.39
Rot. Bonds4

About N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine

N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine (PubChem CID 114269039) has the molecular formula C13H13BrClNO and a molecular weight of 314.61 g/mol. Its IUPAC name is N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine
PubChem CID114269039
Molecular FormulaC13H13BrClNO
Molecular Weight314.61 g/mol
Exact Mass312.99
IUPAC NameN-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1c(Cl)cccc1Br
InChIInChI=1S/C13H13BrClNO/c1-2-16-13(9-6-7-17-8-9)12-10(14)4-3-5-11(12)15/h3-8,13,16H,2H2,1H3
InChIKeyKMKBFDOXEKRHHJ-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-6-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114269044
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855493
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 107308628
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(2-bromo-3,4-difluorophenyl)-(furan-3-yl)methyl]ethanamine
CID 107539344
2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652413

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine (CID 114269039) is N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine is CCNC(c1ccoc1)c1c(Cl)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine?
The InChIKey is KMKBFDOXEKRHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO/c1-2-16-13(9-6-7-17-8-9)12-10(14)4-3-5-11(12)15/h3-8,13,16H,2H2,1H3.
What are the key properties of N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine?
N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine has a molecular weight of 314.61 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine is sourced from PubChem (CID 114269039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).