(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine

C15H14Br3NO2 — CID 114368828

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H14Br3NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15H,19H2,1-2H3
InChIKeyACJKSSIQFRRSSR-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.04
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine

(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine (PubChem CID 114368828) has the molecular formula C15H14Br3NO2 and a molecular weight of 479.99 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
PubChem CID114368828
Molecular FormulaC15H14Br3NO2
Molecular Weight479.99 g/mol
Exact Mass476.86
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H14Br3NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15H,19H2,1-2H3
InChIKeyACJKSSIQFRRSSR-UHFFFAOYSA-N
XLogP5.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 114369246
(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 107950473
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 43118241
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine (CID 114368828) is (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine is COc1cc(Br)c(C(N)c2cc(Br)ccc2Br)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine?
The InChIKey is ACJKSSIQFRRSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine?
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine has a molecular weight of 479.99 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine is sourced from PubChem (CID 114368828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).