N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine

C14H14BrCl2NO — CID 104652134

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine
SMILESCC(NC(C)c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14BrCl2NO/c1-8(10-3-4-11(16)12(17)7-10)18-9(2)13-5-6-14(15)19-13/h3-9,18H,1-2H3
InChIKeyKJZVVKYUASVNLI-UHFFFAOYSA-N
MW363.08 g/mol
LogP5.76
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine

N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine (PubChem CID 104652134) has the molecular formula C14H14BrCl2NO and a molecular weight of 363.08 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine
PubChem CID104652134
Molecular FormulaC14H14BrCl2NO
Molecular Weight363.08 g/mol
Exact Mass360.96
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine
SMILESCC(NC(C)c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14BrCl2NO/c1-8(10-3-4-11(16)12(17)7-10)18-9(2)13-5-6-14(15)19-13/h3-9,18H,1-2H3
InChIKeyKJZVVKYUASVNLI-UHFFFAOYSA-N
XLogP5.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.08
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 113437463
N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 104652974
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905228
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
CID 43108567
N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
CID 104653070
N-[1-(5-bromofuran-2-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 104652485
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
(1S)-1-(3,4-dichlorophenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 96563349

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine (CID 104652134) is N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine is CC(NC(C)c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine?
The InChIKey is KJZVVKYUASVNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NO/c1-8(10-3-4-11(16)12(17)7-10)18-9(2)13-5-6-14(15)19-13/h3-9,18H,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine?
N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine has a molecular weight of 363.08 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 104652134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).