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

C15H15BrClNO — CID 63194534

IUPAC(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)c(Cl)c2)cc1Br
InChIInChI=1S/C15H15BrClNO/c1-9-3-4-11(8-13(9)17)15(18)10-5-6-14(19-2)12(16)7-10/h3-8,15H,18H2,1-2H3
InChIKeyXYMSJVLTCMNTOZ-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.47
Rot. Bonds3

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

(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine (PubChem CID 63194534) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
PubChem CID63194534
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)c(Cl)c2)cc1Br
InChIInChI=1S/C15H15BrClNO/c1-9-3-4-11(8-13(9)17)15(18)10-5-6-14(19-2)12(16)7-10/h3-8,15H,18H2,1-2H3
InChIKeyXYMSJVLTCMNTOZ-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

(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237691
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene
CID 63439339

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine (CID 63194534) is (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine is COc1ccc(C(N)c2ccc(C)c(Cl)c2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The InChIKey is XYMSJVLTCMNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-3-4-11(8-13(9)17)15(18)10-5-6-14(19-2)12(16)7-10/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
(3-bromo-4-methoxyphenyl)-(3-chloro-4-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 (3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 63194534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).