[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine

C16H18BrNO2 — CID 102814582

IUPAC[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
SMILESCOCCc1ccc(Oc2cc(Br)cc(CN)c2)cc1
InChIInChI=1S/C16H18BrNO2/c1-19-7-6-12-2-4-15(5-3-12)20-16-9-13(11-18)8-14(17)10-16/h2-5,8-10H,6-7,11,18H2,1H3
InChIKeyNOFUSEYLRABFKG-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.89
Rot. Bonds6

About [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine

[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine (PubChem CID 102814582) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
PubChem CID102814582
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
SMILESCOCCc1ccc(Oc2cc(Br)cc(CN)c2)cc1
InChIInChI=1S/C16H18BrNO2/c1-19-7-6-12-2-4-15(5-3-12)20-16-9-13(11-18)8-14(17)10-16/h2-5,8-10H,6-7,11,18H2,1H3
InChIKeyNOFUSEYLRABFKG-UHFFFAOYSA-N
XLogP3.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 102814623
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
CID 106530155
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244
[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine
CID 102814466
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762
5-bromo-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874710

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine (CID 102814582) is [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine is COCCc1ccc(Oc2cc(Br)cc(CN)c2)cc1.
What is the InChIKey of [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine?
The InChIKey is NOFUSEYLRABFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-19-7-6-12-2-4-15(5-3-12)20-16-9-13(11-18)8-14(17)10-16/h2-5,8-10H,6-7,11,18H2,1H3.
What are the key properties of [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine?
[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine has a molecular weight of 336.23 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 102814582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).