(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine

C15H15BrClNO — CID 105006873

IUPAC(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(Br)cc2C)ccc1Cl
InChIInChI=1S/C15H15BrClNO/c1-9-7-11(16)4-5-12(9)15(18)10-3-6-13(17)14(8-10)19-2/h3-8,15H,18H2,1-2H3
InChIKeyNJBUKNPIEPEJSG-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.47
Rot. Bonds3

About (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine

(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine (PubChem CID 105006873) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
PubChem CID105006873
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(Br)cc2C)ccc1Cl
InChIInChI=1S/C15H15BrClNO/c1-9-7-11(16)4-5-12(9)15(18)10-3-6-13(17)14(8-10)19-2/h3-8,15H,18H2,1-2H3
InChIKeyNJBUKNPIEPEJSG-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-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130164
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
(4-tert-butylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105007084
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine (CID 105006873) is (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2ccc(Br)cc2C)ccc1Cl.
What is the InChIKey of (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine?
The InChIKey is NJBUKNPIEPEJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-7-11(16)4-5-12(9)15(18)10-3-6-13(17)14(8-10)19-2/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine?
(4-bromo-2-methylphenyl)-(4-chloro-3-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 (4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105006873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).