2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile

C14H13BrN2O — CID 107803391

IUPAC2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile
SMILESCc1cccc(NC(C)c2ccc(Br)o2)c1C#N
InChIInChI=1S/C14H13BrN2O/c1-9-4-3-5-12(11(9)8-16)17-10(2)13-6-7-14(15)18-13/h3-7,10,17H,1-2H3
InChIKeyDBXBHTNJZHTAOP-UHFFFAOYSA-N
MW305.18 g/mol
LogP4.40
Rot. Bonds3

About 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile

2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile (PubChem CID 107803391) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile
PubChem CID107803391
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile
SMILESCc1cccc(NC(C)c2ccc(Br)o2)c1C#N
InChIInChI=1S/C14H13BrN2O/c1-9-4-3-5-12(11(9)8-16)17-10(2)13-6-7-14(15)18-13/h3-7,10,17H,1-2H3
InChIKeyDBXBHTNJZHTAOP-UHFFFAOYSA-N
XLogP4.40
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-bromothiophen-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803553
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile
CID 107803393
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
4-[1-(5-bromofuran-2-yl)ethylamino]benzonitrile
CID 104652084
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
CID 104652980
3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide
CID 104652440
2-(1-cyanopropylamino)-6-methylbenzonitrile
CID 107804258
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
CID 104653070
N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide
CID 107804289

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile?
The IUPAC name of 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile (CID 107803391) is 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile?
The canonical SMILES for 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile is Cc1cccc(NC(C)c2ccc(Br)o2)c1C#N.
What is the InChIKey of 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile?
The InChIKey is DBXBHTNJZHTAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-4-3-5-12(11(9)8-16)17-10(2)13-6-7-14(15)18-13/h3-7,10,17H,1-2H3.
What are the key properties of 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile?
2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile has a molecular weight of 305.18 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile is sourced from PubChem (CID 107803391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).