1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine

C16H16BrCl2NO — CID 107982118

IUPAC1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrCl2NO/c1-9-5-4-6-10(15(9)17)16(20-2)11-7-13(19)14(21-3)8-12(11)18/h4-8,16,20H,1-3H3
InChIKeyXMXCNBIASQQTNV-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.38
Rot. Bonds4

About 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine

1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 107982118) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID107982118
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC Name1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrCl2NO/c1-9-5-4-6-10(15(9)17)16(20-2)11-7-13(19)14(21-3)8-12(11)18/h4-8,16,20H,1-3H3
InChIKeyXMXCNBIASQQTNV-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107096626
1-(2-bromo-3-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 107981976
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248
1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107961280
1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107981867
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-[bromo-(2-bromo-3-methylphenyl)methyl]-2,5-dichloro-4-ethoxybenzene
CID 107983627
1-[(2-bromo-3-methylphenyl)-chloromethyl]-2,5-dichloro-4-ethoxybenzene
CID 107983624
N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 107982128
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 107986014

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine (CID 107982118) is 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(Cl)c(OC)cc1Cl)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XMXCNBIASQQTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-9-5-4-6-10(15(9)17)16(20-2)11-7-13(19)14(21-3)8-12(11)18/h4-8,16,20H,1-3H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 389.12 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107982118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).