N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline

C15H18BrNO2 — CID 102903779

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NC(C)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c1-11(14-7-8-15(16)19-14)17-13-6-4-3-5-12(13)9-10-18-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyYJYWNMJAZAWSGO-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.40
Rot. Bonds6

About N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline

N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline (PubChem CID 102903779) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
PubChem CID102903779
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NC(C)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c1-11(14-7-8-15(16)19-14)17-13-6-4-3-5-12(13)9-10-18-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyYJYWNMJAZAWSGO-UHFFFAOYSA-N
XLogP4.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102849008
2-(2-methoxyethyl)-N-(3-methylpentan-2-yl)aniline
CID 102848997
2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
CID 102848911
N-but-3-en-2-yl-2-(2-methoxyethyl)aniline
CID 107908300
1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 104652747
2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 102848964
2-[1-[2-(2-methoxyethyl)anilino]ethyl]benzene-1,4-diol
CID 102903701

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline (CID 102903779) is N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline is COCCc1ccccc1NC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline?
The InChIKey is YJYWNMJAZAWSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11(14-7-8-15(16)19-14)17-13-6-4-3-5-12(13)9-10-18-2/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline?
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline has a molecular weight of 324.22 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102903779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).