1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine

C16H16Br2ClNO — CID 65433342

IUPAC1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Cl)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C16H16Br2ClNO/c1-9-6-15(21-3)12(8-13(9)18)16(20-2)11-7-10(17)4-5-14(11)19/h4-8,16,20H,1-3H3
InChIKeyQVHRHGNKJRXICG-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.49
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine

1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine (PubChem CID 65433342) has the molecular formula C16H16Br2ClNO and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
PubChem CID65433342
Molecular FormulaC16H16Br2ClNO
Molecular Weight433.57 g/mol
Exact Mass430.93
IUPAC Name1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Cl)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C16H16Br2ClNO/c1-9-6-15(21-3)12(8-13(9)18)16(20-2)11-7-10(17)4-5-14(11)19/h4-8,16,20H,1-3H3
InChIKeyQVHRHGNKJRXICG-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107950679
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(5-chloro-2-methylphenyl)-N-methylmethanamine
CID 82871128
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433731
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 65438765
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 65433732
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248
1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 105007156
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106851843
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65438567

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine (CID 65433342) is 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine is CNC(c1cc(Br)ccc1Cl)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
The InChIKey is QVHRHGNKJRXICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClNO/c1-9-6-15(21-3)12(8-13(9)18)16(20-2)11-7-10(17)4-5-14(11)19/h4-8,16,20H,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine?
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine has a molecular weight of 433.57 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 65433342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).