(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine

C16H17Br2NO2 — CID 105056613

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(C)cc(Br)c2)c(OC)cc1Br
InChIInChI=1S/C16H17Br2NO2/c1-9-4-10(6-11(17)5-9)16(19)12-7-15(21-3)13(18)8-14(12)20-2/h4-8,16H,19H2,1-3H3
InChIKeyJHWGAEACDPSTOU-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.59
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine

(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine (PubChem CID 105056613) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine
PubChem CID105056613
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(C)cc(Br)c2)c(OC)cc1Br
InChIInChI=1S/C16H17Br2NO2/c1-9-4-10(6-11(17)5-9)16(19)12-7-15(21-3)13(18)8-14(12)20-2/h4-8,16H,19H2,1-3H3
InChIKeyJHWGAEACDPSTOU-UHFFFAOYSA-N
XLogP4.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032843
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
(3-bromo-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047093
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 43121496
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine (CID 105056613) is (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine is COc1cc(C(N)c2cc(C)cc(Br)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine?
The InChIKey is JHWGAEACDPSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-9-4-10(6-11(17)5-9)16(19)12-7-15(21-3)13(18)8-14(12)20-2/h4-8,16H,19H2,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine?
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine has a molecular weight of 415.13 g/mol, XLogP of 4.59, 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)-(3-bromo-5-methylphenyl)methanamine is sourced from PubChem (CID 105056613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).