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

C14H16BrNO — CID 113437433

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(Br)o2)c(C)c1
InChIInChI=1S/C14H16BrNO/c1-9-4-5-12(10(2)8-9)16-11(3)13-6-7-14(15)17-13/h4-8,11,16H,1-3H3
InChIKeyNWVHJNGBFQATLZ-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.83
Rot. Bonds3

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

N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline (PubChem CID 113437433) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
PubChem CID113437433
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(Br)o2)c(C)c1
InChIInChI=1S/C14H16BrNO/c1-9-4-5-12(10(2)8-9)16-11(3)13-6-7-14(15)17-13/h4-8,11,16H,1-3H3
InChIKeyNWVHJNGBFQATLZ-UHFFFAOYSA-N
XLogP4.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-4-methyl-2-nitroaniline
CID 104652507
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline
CID 104652643
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
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]-6-chloro-2-methylpyridin-3-amine
CID 114049353
3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzoic acid
CID 104652572
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide
CID 104652671
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline (CID 113437433) is N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline is Cc1ccc(NC(C)c2ccc(Br)o2)c(C)c1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline?
The InChIKey is NWVHJNGBFQATLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-9-4-5-12(10(2)8-9)16-11(3)13-6-7-14(15)17-13/h4-8,11,16H,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline has a molecular weight of 294.19 g/mol, XLogP of 4.83, 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]-2,4-dimethylaniline is sourced from PubChem (CID 113437433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).