(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine

C15H14Br2ClNO — CID 107998788

IUPAC(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-8-5-14(20-2)10(7-11(8)16)15(19)9-3-4-13(18)12(17)6-9/h3-7,15H,19H2,1-2H3
InChIKeyCSEYYZPIDDAWTN-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.23
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine

(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine (PubChem CID 107998788) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
PubChem CID107998788
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-8-5-14(20-2)10(7-11(8)16)15(19)9-3-4-13(18)12(17)6-9/h3-7,15H,19H2,1-2H3
InChIKeyCSEYYZPIDDAWTN-UHFFFAOYSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine with MolForge

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107998871
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
CID 107998932
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433000
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82772992

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine (CID 107998788) is (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine is COc1cc(C)c(Br)cc1C(N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine?
The InChIKey is CSEYYZPIDDAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-8-5-14(20-2)10(7-11(8)16)15(19)9-3-4-13(18)12(17)6-9/h3-7,15H,19H2,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine?
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine has a molecular weight of 419.54 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 107998788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).