(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine

C17H20BrNO — CID 65440107

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20BrNO/c1-10-5-6-13(7-11(10)2)17(19)14-9-15(18)12(3)8-16(14)20-4/h5-9,17H,19H2,1-4H3
InChIKeyYZNNETCTHJAHGX-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.43
Rot. Bonds3

About (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine

(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine (PubChem CID 65440107) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
PubChem CID65440107
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20BrNO/c1-10-5-6-13(7-11(10)2)17(19)14-9-15(18)12(3)8-16(14)20-4/h5-9,17H,19H2,1-4H3
InChIKeyYZNNETCTHJAHGX-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130164
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433000
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
1-bromo-5-[bromo-(3-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432224

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine (CID 65440107) is (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine is COc1cc(C)c(Br)cc1C(N)c1ccc(C)c(C)c1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is YZNNETCTHJAHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-10-5-6-13(7-11(10)2)17(19)14-9-15(18)12(3)8-16(14)20-4/h5-9,17H,19H2,1-4H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine?
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 65440107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).