1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine

C16H17BrClNO — CID 105007011

IUPAC1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C16H17BrClNO/c1-10-8-11(4-6-13(10)17)16(19-2)12-5-7-14(18)15(9-12)20-3/h4-9,16,19H,1-3H3
InChIKeyUIQJFBBDVLKBSJ-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine

1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 105007011) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID105007011
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C16H17BrClNO/c1-10-8-11(4-6-13(10)17)16(19-2)12-5-7-14(18)15(9-12)20-3/h4-9,16,19H,1-3H3
InChIKeyUIQJFBBDVLKBSJ-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 105007156
1-(4-bromo-3-chlorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 81289992
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105013631
1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43481405
1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397275
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 79700135
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
[(4-chloro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258314

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine (CID 105007011) is 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(Br)c(C)c1)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is UIQJFBBDVLKBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-8-11(4-6-13(10)17)16(19-2)12-5-7-14(18)15(9-12)20-3/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105007011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).