1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine

C17H20BrNO2 — CID 104659021

IUPAC1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
SMILESCOCCOc1ccccc1C(C)(N)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-17(19,13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)21-11-10-20-2/h3-9,12H,10-11,19H2,1-2H3
InChIKeyJSLJAZPBEJLOHT-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.70
Rot. Bonds6

About 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine

1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine (PubChem CID 104659021) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
PubChem CID104659021
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
SMILESCOCCOc1ccccc1C(C)(N)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-17(19,13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)21-11-10-20-2/h3-9,12H,10-11,19H2,1-2H3
InChIKeyJSLJAZPBEJLOHT-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.70
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

1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659008
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
CID 54919280
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659024
3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505711
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
CID 79595826
4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one
CID 113438517
1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol
CID 104658806
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659871
(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 114894620

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine (CID 104659021) is 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine is COCCOc1ccccc1C(C)(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine?
The InChIKey is JSLJAZPBEJLOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-17(19,13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)21-11-10-20-2/h3-9,12H,10-11,19H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine?
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine has a molecular weight of 350.26 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 104659021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).