(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine

C16H18BrNO — CID 115850574

IUPAC(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1cccc(C)c1C
InChIInChI=1S/C16H18BrNO/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16H,18H2,1-3H3
InChIKeyBTYZSZSJBOGTRP-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.12
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine

(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine (PubChem CID 115850574) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
PubChem CID115850574
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1cccc(C)c1C
InChIInChI=1S/C16H18BrNO/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16H,18H2,1-3H3
InChIKeyBTYZSZSJBOGTRP-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
CID 115368966
(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130164
(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049286
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine (CID 115850574) is (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine is COc1cc(Br)ccc1C(N)c1cccc(C)c1C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine?
The InChIKey is BTYZSZSJBOGTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine?
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine has a molecular weight of 320.23 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 115850574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).