(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine

C15H15BrClNO — CID 81109542

IUPAC(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)ccc2Br)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-9-3-6-13(16)12(7-9)15(18)11-5-4-10(19-2)8-14(11)17/h3-8,15H,18H2,1-2H3
InChIKeyCTRUUDREXMHSJU-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.47
Rot. Bonds3

About (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine

(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine (PubChem CID 81109542) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
PubChem CID81109542
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)ccc2Br)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-9-3-6-13(16)12(7-9)15(18)11-5-4-10(19-2)8-14(11)17/h3-8,15H,18H2,1-2H3
InChIKeyCTRUUDREXMHSJU-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

(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013705
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443615
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine (CID 81109542) is (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(C)ccc2Br)c(Cl)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The InChIKey is CTRUUDREXMHSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-3-6-13(16)12(7-9)15(18)11-5-4-10(19-2)8-14(11)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine?
(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)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 (2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 81109542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).