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

C15H15Br2NO2 — CID 105056652

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
SMILESCOc1cc(C(N)c2ccccc2Br)c(OC)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-19-13-8-12(17)14(20-2)7-10(13)15(18)9-5-3-4-6-11(9)16/h3-8,15H,18H2,1-2H3
InChIKeySTTIAXQEFZTFNC-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.28
Rot. Bonds4

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

(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine (PubChem CID 105056652) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
PubChem CID105056652
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
SMILESCOc1cc(C(N)c2ccccc2Br)c(OC)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-19-13-8-12(17)14(20-2)7-10(13)15(18)9-5-3-4-6-11(9)16/h3-8,15H,18H2,1-2H3
InChIKeySTTIAXQEFZTFNC-UHFFFAOYSA-N
XLogP4.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171214723
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
CID 79403679
(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680488
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
1-bromo-4-[bromo-(2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057401

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine (CID 105056652) is (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine is COc1cc(C(N)c2ccccc2Br)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine?
The InChIKey is STTIAXQEFZTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-19-13-8-12(17)14(20-2)7-10(13)15(18)9-5-3-4-6-11(9)16/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine?
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine has a molecular weight of 401.10 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine is sourced from PubChem (CID 105056652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).