1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine

C16H17Br2NO — CID 81110564

IUPAC1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1Br)c1cc(Br)ccc1OC
InChIInChI=1S/C16H17Br2NO/c1-10-4-6-14(18)12(8-10)16(19-2)13-9-11(17)5-7-15(13)20-3/h4-9,16,19H,1-3H3
InChIKeyLJGAIQKQVFQQRT-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.84
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine

1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine (PubChem CID 81110564) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
PubChem CID81110564
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1Br)c1cc(Br)ccc1OC
InChIInChI=1S/C16H17Br2NO/c1-10-4-6-14(18)12(8-10)16(19-2)13-9-11(17)5-7-15(13)20-3/h4-9,16,19H,1-3H3
InChIKeyLJGAIQKQVFQQRT-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032785
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 106764769
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-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102827361
1-(3-bromo-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 81472448
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83043843
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433342
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine (CID 81110564) is 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1Br)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine?
The InChIKey is LJGAIQKQVFQQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-10-4-6-14(18)12(8-10)16(19-2)13-9-11(17)5-7-15(13)20-3/h4-9,16,19H,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine?
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine has a molecular weight of 399.13 g/mol, XLogP of 4.84, 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-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81110564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).