[4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol

C15H14BrClN2O — CID 146342322

IUPAC[4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol
SMILESCc1c(Br)cccc1/N=C/c1cc(CO)cc(Cl)c1N
InChIInChI=1S/C15H14BrClN2O/c1-9-12(16)3-2-4-14(9)19-7-11-5-10(8-20)6-13(17)15(11)18/h2-7,20H,8,18H2,1H3/b19-7+
InChIKeyCRNMUCJIGLNDSD-FBCYGCLPSA-N
MW353.65 g/mol
LogP4.24
Rot. Bonds3

About [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol

[4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol (PubChem CID 146342322) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol
PubChem CID146342322
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name[4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol
SMILESCc1c(Br)cccc1/N=C/c1cc(CO)cc(Cl)c1N
InChIInChI=1S/C15H14BrClN2O/c1-9-12(16)3-2-4-14(9)19-7-11-5-10(8-20)6-13(17)15(11)18/h2-7,20H,8,18H2,1H3/b19-7+
InChIKeyCRNMUCJIGLNDSD-FBCYGCLPSA-N
XLogP4.24
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol?
The IUPAC name of [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol (CID 146342322) is [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol.
What is the SMILES notation for [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol?
The canonical SMILES for [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol is Cc1c(Br)cccc1/N=C/c1cc(CO)cc(Cl)c1N.
What is the InChIKey of [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol?
The InChIKey is CRNMUCJIGLNDSD-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-12(16)3-2-4-14(9)19-7-11-5-10(8-20)6-13(17)15(11)18/h2-7,20H,8,18H2,1H3/b19-7+.
What are the key properties of [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol?
[4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol has a molecular weight of 353.65 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol is sourced from PubChem (CID 146342322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).