1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine

C16H17BrClNO — CID 104851144

IUPAC1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Br)c1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H17BrClNO/c1-10-6-12(8-13(17)7-10)16(19-2)11-4-5-15(20-3)14(18)9-11/h4-9,16,19H,1-3H3
InChIKeyNYANRMXQRWSBNL-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.73
Rot. Bonds4

About 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine

1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 104851144) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID104851144
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Br)c1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H17BrClNO/c1-10-6-12(8-13(17)7-10)16(19-2)11-4-5-15(20-3)14(18)9-11/h4-9,16,19H,1-3H3
InChIKeyNYANRMXQRWSBNL-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

[(3-bromo-5-methylphenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320733
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797356
1-(4-bromo-3-chlorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 81289992
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974
1,3-dibromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 107980802
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315754

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine (CID 104851144) is 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(Br)c1)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is NYANRMXQRWSBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-6-12(8-13(17)7-10)16(19-2)11-4-5-15(20-3)14(18)9-11/h4-9,16,19H,1-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-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-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 104851144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).