[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine

C15H16BrNO2 — CID 22688736

IUPAC[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(Br)ccc1OCc1ccc(CN)cc1
InChIInChI=1S/C15H16BrNO2/c1-18-15-8-13(16)6-7-14(15)19-10-12-4-2-11(9-17)3-5-12/h2-8H,9-10,17H2,1H3
InChIKeyYBIWVFPCWNBJLB-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.50
Rot. Bonds5

About [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine

[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine (PubChem CID 22688736) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
PubChem CID22688736
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(Br)ccc1OCc1ccc(CN)cc1
InChIInChI=1S/C15H16BrNO2/c1-18-15-8-13(16)6-7-14(15)19-10-12-4-2-11(9-17)3-5-12/h2-8H,9-10,17H2,1H3
InChIKeyYBIWVFPCWNBJLB-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

[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
CID 8706948
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine (CID 22688736) is [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine is COc1cc(Br)ccc1OCc1ccc(CN)cc1.
What is the InChIKey of [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine?
The InChIKey is YBIWVFPCWNBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-15-8-13(16)6-7-14(15)19-10-12-4-2-11(9-17)3-5-12/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine?
[4-[(4-bromo-2-methoxyphenoxy)methyl]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 [4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 22688736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).