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

C17H20BrNO — CID 81110285

IUPAC1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)c1cc(C)ccc1Br
InChIInChI=1S/C17H20BrNO/c1-11-5-8-16(18)15(9-11)17(19-3)14-7-6-13(20-4)10-12(14)2/h5-10,17,19H,1-4H3
InChIKeyYELQDJJQRQERAK-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.38
Rot. Bonds4

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

1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 81110285) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID81110285
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)c1cc(C)ccc1Br
InChIInChI=1S/C17H20BrNO/c1-11-5-8-16(18)15(9-11)17(19-3)14-7-6-13(20-4)10-12(14)2/h5-10,17,19H,1-4H3
InChIKeyYELQDJJQRQERAK-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482821
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032785
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 65433732
1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 106851550
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83043843
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025878
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 115567055
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (CID 81110285) is 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1C)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is YELQDJJQRQERAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-5-8-16(18)15(9-11)17(19-3)14-7-6-13(20-4)10-12(14)2/h5-10,17,19H,1-4H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81110285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).