N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine

C21H15Br3ClNO — CID 126219344

IUPACN-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
SMILESCc1c(Cl)cccc1/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C21H15Br3ClNO/c1-13-19(25)3-2-4-20(13)26-11-15-9-17(23)21(18(24)10-15)27-12-14-5-7-16(22)8-6-14/h2-11H,12H2,1H3/b26-11+
InChIKeySPVUKXYWYMBCGS-KBKYJPHKSA-N
MW572.52 g/mol
LogP8.27
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine

N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine (PubChem CID 126219344) has the molecular formula C21H15Br3ClNO and a molecular weight of 572.52 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
PubChem CID126219344
Molecular FormulaC21H15Br3ClNO
Molecular Weight572.52 g/mol
Exact Mass568.84
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
SMILESCc1c(Cl)cccc1/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C21H15Br3ClNO/c1-13-19(25)3-2-4-20(13)26-11-15-9-17(23)21(18(24)10-15)27-12-14-5-7-16(22)8-6-14/h2-11H,12H2,1H3/b26-11+
InChIKeySPVUKXYWYMBCGS-KBKYJPHKSA-N
XLogP8.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.52
LogP ≤ 58.27
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

N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126223873
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126219288
N-(3-chloro-2-methylphenyl)-1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126208858
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126220707
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 126220024
1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214078
1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219557
1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126225118
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine (CID 126219344) is N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine is Cc1c(Cl)cccc1/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine?
The InChIKey is SPVUKXYWYMBCGS-KBKYJPHKSA-N. The full InChI is InChI=1S/C21H15Br3ClNO/c1-13-19(25)3-2-4-20(13)26-11-15-9-17(23)21(18(24)10-15)27-12-14-5-7-16(22)8-6-14/h2-11H,12H2,1H3/b26-11+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine?
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine has a molecular weight of 572.52 g/mol, XLogP of 8.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 126219344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).