(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine

C15H16BrNO2 — CID 105086328

IUPAC(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc(OC)ccc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-18-11-5-3-4-10(8-11)15(17)13-9-12(19-2)6-7-14(13)16/h3-9,15H,17H2,1-2H3
InChIKeyDXRSZAXRTKYESS-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.51
Rot. Bonds4

About (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine

(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine (PubChem CID 105086328) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
PubChem CID105086328
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc(OC)ccc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-18-11-5-3-4-10(8-11)15(17)13-9-12(19-2)6-7-14(13)16/h3-9,15H,17H2,1-2H3
InChIKeyDXRSZAXRTKYESS-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
CID 45282000
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905
[(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283642
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
CID 54919573
(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 115785913
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine
CID 105141322
(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013705
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
[(2-bromo-5-methoxyphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328079

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine (CID 105086328) is (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cc(OC)ccc2Br)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine?
The InChIKey is DXRSZAXRTKYESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-11-5-3-4-10(8-11)15(17)13-9-12(19-2)6-7-14(13)16/h3-9,15H,17H2,1-2H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine?
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine has a molecular weight of 322.20 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 105086328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).