N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C19H24BrClN2O2 — CID 66538742

IUPACN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(Br)c(CNCCN(C)C)c1OCc1ccccc1Cl
InChIInChI=1S/C19H24BrClN2O2/c1-23(2)11-10-22-12-15-16(20)8-9-18(24-3)19(15)25-13-14-6-4-5-7-17(14)21/h4-9,22H,10-13H2,1-3H3
InChIKeyJRCHYERFSMIZOH-UHFFFAOYSA-N
MW427.77 g/mol
LogP4.34
Rot. Bonds9

About N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 66538742) has the molecular formula C19H24BrClN2O2 and a molecular weight of 427.77 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID66538742
Molecular FormulaC19H24BrClN2O2
Molecular Weight427.77 g/mol
Exact Mass426.07
IUPAC NameN-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(Br)c(CNCCN(C)C)c1OCc1ccccc1Cl
InChIInChI=1S/C19H24BrClN2O2/c1-23(2)11-10-22-12-15-16(20)8-9-18(24-3)19(15)25-13-14-6-4-5-7-17(14)21/h4-9,22H,10-13H2,1-3H3
InChIKeyJRCHYERFSMIZOH-UHFFFAOYSA-N
XLogP4.34
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66536113
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538452
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 66535982
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535984
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66536038
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537190
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538646
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 66538543
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 66535915
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 66536080
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537508
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538948

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 66538742) is N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is COc1ccc(Br)c(CNCCN(C)C)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JRCHYERFSMIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrClN2O2/c1-23(2)11-10-22-12-15-16(20)8-9-18(24-3)19(15)25-13-14-6-4-5-7-17(14)21/h4-9,22H,10-13H2,1-3H3.
What are the key properties of N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 427.77 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 66538742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).