2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile

C14H11BrN2O — CID 106485665

IUPAC2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccc(CN)cc1
InChIInChI=1S/C14H11BrN2O/c15-13-2-1-3-14(12(13)9-17)18-11-6-4-10(8-16)5-7-11/h1-7H,8,16H2
InChIKeyCJVAYKMCURCKTN-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.57
Rot. Bonds3

About 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile

2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile (PubChem CID 106485665) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile
PubChem CID106485665
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccc(CN)cc1
InChIInChI=1S/C14H11BrN2O/c15-13-2-1-3-14(12(13)9-17)18-11-6-4-10(8-16)5-7-11/h1-7H,8,16H2
InChIKeyCJVAYKMCURCKTN-UHFFFAOYSA-N
XLogP3.57
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-naphthalen-2-yloxybenzonitrile
CID 114881557
2-bromo-6-(3-ethylphenoxy)benzonitrile
CID 114881566
2-bromo-6-(2-bromophenoxy)benzonitrile
CID 114881565
2,6-diphenoxybenzonitrile
CID 71353957
[4-[3-(2-bromophenoxy)propoxy]phenyl]methanamine
CID 43530985
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
CID 62495723
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 114887520
2-(4-amino-2,5-dimethylphenoxy)-6-bromobenzonitrile
CID 114884583
2,6-dibromobenzonitrile
CID 12683209
2-bromo-6-(3-chloro-4-nitrophenoxy)benzonitrile
CID 114881660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile (CID 106485665) is 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile is N#Cc1c(Br)cccc1Oc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile?
The InChIKey is CJVAYKMCURCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-13-2-1-3-14(12(13)9-17)18-11-6-4-10(8-16)5-7-11/h1-7H,8,16H2.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile?
2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile is sourced from PubChem (CID 106485665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).