(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine

C15H16BrNO2 — CID 43622225

IUPAC(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C15H16BrNO2/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10,17H2,1H3
InChIKeyXUIUGWKIMWUHPY-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.50
Rot. Bonds5

About (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine

(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine (PubChem CID 43622225) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
PubChem CID43622225
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C15H16BrNO2/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10,17H2,1H3
InChIKeyXUIUGWKIMWUHPY-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
3-[[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]methyl]benzonitrile
CID 60889843
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
CID 4716491
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60887919
[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 60889266
1-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716208
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylaniline
CID 2192356

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine (CID 43622225) is (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine is COc1cc(CN)cc(Br)c1OCc1ccccc1.
What is the InChIKey of (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine?
The InChIKey is XUIUGWKIMWUHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10,17H2,1H3.
What are the key properties of (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine?
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine has a molecular weight of 322.20 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine is sourced from PubChem (CID 43622225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).