N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline

C12H11BrClNO — CID 104652071

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccc(Br)o1
InChIInChI=1S/C12H11BrClNO/c1-8(11-6-7-12(13)16-11)15-10-4-2-9(14)3-5-10/h2-8,15H,1H3
InChIKeyOVYNMCQBOSAFDL-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.87
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline

N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline (PubChem CID 104652071) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
PubChem CID104652071
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccc(Br)o1
InChIInChI=1S/C12H11BrClNO/c1-8(11-6-7-12(13)16-11)15-10-4-2-9(14)3-5-10/h2-8,15H,1H3
InChIKeyOVYNMCQBOSAFDL-UHFFFAOYSA-N
XLogP4.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
CID 113437452
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996
4-[1-(5-bromofuran-2-yl)ethylamino]benzonitrile
CID 104652084
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692
N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
CID 104653070
5-[1-(5-bromofuran-2-yl)ethylamino]-2-chlorobenzamide
CID 104652478
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 104652255
N-[1-(5-bromofuran-2-yl)ethyl]-4-cyclopentylsulfanylaniline
CID 104652562
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
CID 104653096
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
N-[1-(5-bromofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)aniline
CID 104652755

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline (CID 104652071) is N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline is CC(Nc1ccc(Cl)cc1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline?
The InChIKey is OVYNMCQBOSAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c1-8(11-6-7-12(13)16-11)15-10-4-2-9(14)3-5-10/h2-8,15H,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline has a molecular weight of 300.58 g/mol, XLogP of 4.87, 3 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]-4-chloroaniline is sourced from PubChem (CID 104652071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).