[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine

C15H16BrNO2 — CID 63046855

IUPAC[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1cccc(COc2ccc(CN)cc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-18-13-4-2-3-12(7-13)10-19-15-6-5-11(9-17)8-14(15)16/h2-8H,9-10,17H2,1H3
InChIKeyRVLBLNXGZMSBOL-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.50
Rot. Bonds5

About [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine

[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 63046855) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID63046855
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1cccc(COc2ccc(CN)cc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-18-13-4-2-3-12(7-13)10-19-15-6-5-11(9-17)8-14(15)16/h2-8H,9-10,17H2,1H3
InChIKeyRVLBLNXGZMSBOL-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-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
CID 79416158
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
2-bromo-1-[(3-methoxyphenyl)methoxy]-4-nitrobenzene
CID 23657937
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
CID 62116037
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine (CID 63046855) is [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine is COc1cccc(COc2ccc(CN)cc2Br)c1.
What is the InChIKey of [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is RVLBLNXGZMSBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-13-4-2-3-12(7-13)10-19-15-6-5-11(9-17)8-14(15)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]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-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 63046855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).