N-[(8-bromodibenzofuran-2-yl)methyl]methanimine

C14H10BrNO — CID 176994459

IUPACN-[(8-bromodibenzofuran-2-yl)methyl]methanimine
SMILESC=NCc1ccc2oc3ccc(Br)cc3c2c1
InChIInChI=1S/C14H10BrNO/c1-16-8-9-2-4-13-11(6-9)12-7-10(15)3-5-14(12)17-13/h2-7H,1,8H2
InChIKeyWGKCKRWLJFQRRM-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.55
Rot. Bonds2

About N-[(8-bromodibenzofuran-2-yl)methyl]methanimine

N-[(8-bromodibenzofuran-2-yl)methyl]methanimine (PubChem CID 176994459) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is N-[(8-bromodibenzofuran-2-yl)methyl]methanimine.

Molecular Properties

Compound NameN-[(8-bromodibenzofuran-2-yl)methyl]methanimine
PubChem CID176994459
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC NameN-[(8-bromodibenzofuran-2-yl)methyl]methanimine
SMILESC=NCc1ccc2oc3ccc(Br)cc3c2c1
InChIInChI=1S/C14H10BrNO/c1-16-8-9-2-4-13-11(6-9)12-7-10(15)3-5-14(12)17-13/h2-7H,1,8H2
InChIKeyWGKCKRWLJFQRRM-UHFFFAOYSA-N
XLogP4.55
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
8-bromodibenzofuran-2-carbaldehyde
CID 23559412
2-bromo-8-deuteriodibenzofuran
CID 164823115
2-bromodibenzofuran;4-dibenzofuran-2-ylaniline;2-[4-(dibenzofuran-2-ylmethyl)phenyl]dibenzofuran
CID 161325383
4-bromo-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2(7),3,5,9(19),10,12(20),13,16-nonaen-15-one
CID 165356129
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
8-bromodibenzofuran-4-ol
CID 163774283
7-bromo-2-methyldibenzofuran
CID 142427198
2-bromo-6-iododibenzofuran
CID 129100797
1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 83904250
(5-bromo-3-tert-butyl-1-benzofuran-2-yl)methanamine
CID 62379957
7-bromo-[1]benzofuro[3,2-b]chromen-11-one
CID 153449994

Frequently Asked Questions

What is the IUPAC name of N-[(8-bromodibenzofuran-2-yl)methyl]methanimine?
The IUPAC name of N-[(8-bromodibenzofuran-2-yl)methyl]methanimine (CID 176994459) is N-[(8-bromodibenzofuran-2-yl)methyl]methanimine.
What is the SMILES notation for N-[(8-bromodibenzofuran-2-yl)methyl]methanimine?
The canonical SMILES for N-[(8-bromodibenzofuran-2-yl)methyl]methanimine is C=NCc1ccc2oc3ccc(Br)cc3c2c1.
What is the InChIKey of N-[(8-bromodibenzofuran-2-yl)methyl]methanimine?
The InChIKey is WGKCKRWLJFQRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c1-16-8-9-2-4-13-11(6-9)12-7-10(15)3-5-14(12)17-13/h2-7H,1,8H2.
What are the key properties of N-[(8-bromodibenzofuran-2-yl)methyl]methanimine?
N-[(8-bromodibenzofuran-2-yl)methyl]methanimine has a molecular weight of 288.14 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-bromodibenzofuran-2-yl)methyl]methanimine is sourced from PubChem (CID 176994459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).