[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine

C15H15Br2NO2 — CID 105407420

IUPAC[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
SMILESCOc1cc(Br)c(Oc2cc(CN)ccc2C)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-9-3-4-10(8-18)5-13(9)20-15-7-11(16)14(19-2)6-12(15)17/h3-7H,8,18H2,1-2H3
InChIKeyPSSJCIPNBSPFOP-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.78
Rot. Bonds4

About [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine

[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine (PubChem CID 105407420) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
PubChem CID105407420
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
SMILESCOc1cc(Br)c(Oc2cc(CN)ccc2C)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-9-3-4-10(8-18)5-13(9)20-15-7-11(16)14(19-2)6-12(15)17/h3-7H,8,18H2,1-2H3
InChIKeyPSSJCIPNBSPFOP-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
[3-(3-bromo-2,4-dimethoxyphenyl)-4-methylphenyl]methanamine
CID 103523742
[3-methoxy-4-(2-methylphenyl)phenyl]methanamine
CID 154814905
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
CID 79416158
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437
[3-(4-bromo-2-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407397
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine (CID 105407420) is [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine is COc1cc(Br)c(Oc2cc(CN)ccc2C)cc1Br.
What is the InChIKey of [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine?
The InChIKey is PSSJCIPNBSPFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-9-3-4-10(8-18)5-13(9)20-15-7-11(16)14(19-2)6-12(15)17/h3-7H,8,18H2,1-2H3.
What are the key properties of [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine?
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine has a molecular weight of 401.10 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 105407420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).