2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide

C15H15BrN2O — CID 107930870

IUPAC2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-2-7-14(13(8-10)15(17)18)19-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyUHTURBWHWANUOI-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.62
Rot. Bonds4

About 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide

2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide (PubChem CID 107930870) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide
PubChem CID107930870
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-2-7-14(13(8-10)15(17)18)19-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyUHTURBWHWANUOI-UHFFFAOYSA-N
XLogP3.62
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.62
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

4-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride
CID 155776597
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 65340096
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
CID 107930880
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide (CID 107930870) is 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide?
The InChIKey is UHTURBWHWANUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-2-7-14(13(8-10)15(17)18)19-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide?
2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide has a molecular weight of 319.20 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).