(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine

C14H12Br3NO — CID 107950477

IUPAC(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C14H12Br3NO/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,14H,18H2,1H3
InChIKeyGLDUDWQHKDVMDO-UHFFFAOYSA-N
MW449.97 g/mol
LogP5.03
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine

(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine (PubChem CID 107950477) has the molecular formula C14H12Br3NO and a molecular weight of 449.97 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
PubChem CID107950477
Molecular FormulaC14H12Br3NO
Molecular Weight449.97 g/mol
Exact Mass446.85
IUPAC Name(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C14H12Br3NO/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,14H,18H2,1H3
InChIKeyGLDUDWQHKDVMDO-UHFFFAOYSA-N
XLogP5.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.97
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65308241
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 107950473
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950937
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine (CID 107950477) is (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine is COc1ccc(C(N)c2ccc(Br)cc2Br)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine?
The InChIKey is GLDUDWQHKDVMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NO/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,14H,18H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine?
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine has a molecular weight of 449.97 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine is sourced from PubChem (CID 107950477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).