(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine

C15H15BrClNO — CID 107096345

IUPAC(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
SMILESCOc1ccc(Br)cc1C(N)c1cccc(Cl)c1C
InChIInChI=1S/C15H15BrClNO/c1-9-11(4-3-5-13(9)17)15(18)12-8-10(16)6-7-14(12)19-2/h3-8,15H,18H2,1-2H3
InChIKeyDQCCEXDIJROSPW-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.47
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine

(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine (PubChem CID 107096345) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
PubChem CID107096345
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
SMILESCOc1ccc(Br)cc1C(N)c1cccc(Cl)c1C
InChIInChI=1S/C15H15BrClNO/c1-9-11(4-3-5-13(9)17)15(18)12-8-10(16)6-7-14(12)19-2/h3-8,15H,18H2,1-2H3
InChIKeyDQCCEXDIJROSPW-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116936765
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107096610
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene
CID 107099130
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 43149051
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine (CID 107096345) is (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine is COc1ccc(Br)cc1C(N)c1cccc(Cl)c1C.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine?
The InChIKey is DQCCEXDIJROSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-11(4-3-5-13(9)17)15(18)12-8-10(16)6-7-14(12)19-2/h3-8,15H,18H2,1-2H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine?
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine has a molecular weight of 340.65 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine is sourced from PubChem (CID 107096345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).