N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline

C15H18BrNO2 — CID 104652643

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NC(C)c2ccc(Br)o2)c1C
InChIInChI=1S/C15H18BrNO2/c1-9-5-6-12(10(2)15(9)18-4)17-11(3)13-7-8-14(16)19-13/h5-8,11,17H,1-4H3
InChIKeyXAFNJGIHSQDGBF-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.84
Rot. Bonds4

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

N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline (PubChem CID 104652643) 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]-3-methoxy-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline
PubChem CID104652643
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NC(C)c2ccc(Br)o2)c1C
InChIInChI=1S/C15H18BrNO2/c1-9-5-6-12(10(2)15(9)18-4)17-11(3)13-7-8-14(16)19-13/h5-8,11,17H,1-4H3
InChIKeyXAFNJGIHSQDGBF-UHFFFAOYSA-N
XLogP4.84
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048
3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43739036
3-methoxy-2,4-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43739008
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline
CID 43739059
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
CID 114049353
3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzoic acid
CID 104652572
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide
CID 104652671

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline (CID 104652643) is N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline is COc1c(C)ccc(NC(C)c2ccc(Br)o2)c1C.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline?
The InChIKey is XAFNJGIHSQDGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-9-5-6-12(10(2)15(9)18-4)17-11(3)13-7-8-14(16)19-13/h5-8,11,17H,1-4H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline has a molecular weight of 324.22 g/mol, XLogP of 4.84, 4 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]-3-methoxy-2,4-dimethylaniline is sourced from PubChem (CID 104652643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).