2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide

C15H15BrN2O — CID 24709746

IUPAC2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O/c16-14-4-2-1-3-12(14)10-19-13-7-5-11(6-8-13)9-15(17)18/h1-8H,9-10H2,(H3,17,18)
InChIKeySGALXDAMEMQZMG-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.51
Rot. Bonds5

About 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide

2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide (PubChem CID 24709746) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide
PubChem CID24709746
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O/c16-14-4-2-1-3-12(14)10-19-13-7-5-11(6-8-13)9-15(17)18/h1-8H,9-10H2,(H3,17,18)
InChIKeySGALXDAMEMQZMG-UHFFFAOYSA-N
XLogP3.51
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.51
H-Bond Donors ≤ 52
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

2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide
CID 24690051
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
CID 43646216
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
2-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanimidamide
CID 62160967
2-phenylethanimidamide
CID 27787
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 103038181
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanimidamide
CID 43332381
2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide
CID 65458060

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide?
The IUPAC name of 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide (CID 24709746) is 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide?
The canonical SMILES for 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(OCc2ccccc2Br)cc1.
What is the InChIKey of 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide?
The InChIKey is SGALXDAMEMQZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-14-4-2-1-3-12(14)10-19-13-7-5-11(6-8-13)9-15(17)18/h1-8H,9-10H2,(H3,17,18).
What are the key properties of 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide?
2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide has a molecular weight of 319.20 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide is sourced from PubChem (CID 24709746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).