N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide

C15H15BrN2O — CID 525791

IUPACN-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide
SMILESCCOc1cccc(/N=C/Nc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O/c1-2-19-15-8-4-7-14(10-15)18-11-17-13-6-3-5-12(16)9-13/h3-11H,2H2,1H3,(H,17,18)
InChIKeyZZIDLONYOBSYMW-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.62
Rot. Bonds5

About N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide

N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide (PubChem CID 525791) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide
PubChem CID525791
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide
SMILESCCOc1cccc(/N=C/Nc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O/c1-2-19-15-8-4-7-14(10-15)18-11-17-13-6-3-5-12(16)9-13/h3-11H,2H2,1H3,(H,17,18)
InChIKeyZZIDLONYOBSYMW-UHFFFAOYSA-N
XLogP4.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-ethoxybenzene;ethane
CID 143900364
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N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine
CID 523917
3-bromo-5-(3-ethoxyanilino)benzonitrile
CID 102815781
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CID 58745523
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
3-ethoxy-N-propylaniline
CID 54800867
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
methyl (Z)-2-cyano-3-(3-ethoxyanilino)prop-2-enoate
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CID 2899232

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide?
The IUPAC name of N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide (CID 525791) is N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide?
The canonical SMILES for N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide is CCOc1cccc(/N=C/Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide?
The InChIKey is ZZIDLONYOBSYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-2-19-15-8-4-7-14(10-15)18-11-17-13-6-3-5-12(16)9-13/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide?
N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide has a molecular weight of 319.20 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide is sourced from PubChem (CID 525791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).