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

C16H18BrNO3 — CID 43149051

IUPAC(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C16H18BrNO3/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-8-11(17)4-5-15(14)21-3/h4-9,16H,18H2,1-3H3
InChIKeyKDYVTFBJFZMXOG-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.52
Rot. Bonds5

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

(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine (PubChem CID 43149051) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
PubChem CID43149051
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C16H18BrNO3/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-8-11(17)4-5-15(14)21-3/h4-9,16H,18H2,1-3H3
InChIKeyKDYVTFBJFZMXOG-UHFFFAOYSA-N
XLogP3.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116936765
(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122354
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
(5-bromo-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43148998
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013705
4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427198
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine (CID 43149051) is (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine is COc1cc(OC)cc(C(N)c2cc(Br)ccc2OC)c1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine?
The InChIKey is KDYVTFBJFZMXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-8-11(17)4-5-15(14)21-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine?
(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine has a molecular weight of 352.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 43149051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).