[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine

C10H14BrNO2 — CID 61389790

IUPAC[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1c(Br)cccc1CN
InChIInChI=1S/C10H14BrNO2/c1-13-5-6-14-10-8(7-12)3-2-4-9(10)11/h2-4H,5-7,12H2,1H3
InChIKeyOESKEPPSGVJIEI-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.93
Rot. Bonds5

About [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine

[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 61389790) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
PubChem CID61389790
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1c(Br)cccc1CN
InChIInChI=1S/C10H14BrNO2/c1-13-5-6-14-10-8(7-12)3-2-4-9(10)11/h2-4H,5-7,12H2,1H3
InChIKeyOESKEPPSGVJIEI-UHFFFAOYSA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 61484994
1-bromo-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564252
(3-bromo-2-decoxyphenyl)methanamine
CID 63500475
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471527
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
CID 62228230
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
1-bromo-3-(chloromethyl)-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410432
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine (CID 61389790) is [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine is COCCOc1c(Br)cccc1CN.
What is the InChIKey of [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is OESKEPPSGVJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-13-5-6-14-10-8(7-12)3-2-4-9(10)11/h2-4H,5-7,12H2,1H3.
What are the key properties of [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine?
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine has a molecular weight of 260.13 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 61389790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).