2-(3-bromo-2-ethoxyphenyl)ethanamine

C10H14BrNO — CID 61391880

IUPAC2-(3-bromo-2-ethoxyphenyl)ethanamine
SMILESCCOc1c(Br)cccc1CCN
InChIInChI=1S/C10H14BrNO/c1-2-13-10-8(6-7-12)4-3-5-9(10)11/h3-5H,2,6-7,12H2,1H3
InChIKeyOPWXWFDTPQHCTG-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.35
Rot. Bonds4

About 2-(3-bromo-2-ethoxyphenyl)ethanamine

2-(3-bromo-2-ethoxyphenyl)ethanamine (PubChem CID 61391880) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(3-bromo-2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2-ethoxyphenyl)ethanamine
PubChem CID61391880
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(3-bromo-2-ethoxyphenyl)ethanamine
SMILESCCOc1c(Br)cccc1CCN
InChIInChI=1S/C10H14BrNO/c1-2-13-10-8(6-7-12)4-3-5-9(10)11/h3-5H,2,6-7,12H2,1H3
InChIKeyOPWXWFDTPQHCTG-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
2-[3-bromo-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095620
2-[3-bromo-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 61391911
2-[3-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476290
2-[3-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 62937844
3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
CID 62326107
2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79172889
2-[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 61391970
methyl 3-[2-(2-aminoethyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79619837
1-bromo-3-[4-[3-bromo-2-(ethoxymethoxy)phenyl]butyl]-2-(ethoxymethoxy)benzene
CID 164911940
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2-ethoxyphenyl)ethanamine (CID 61391880) is 2-(3-bromo-2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2-ethoxyphenyl)ethanamine is CCOc1c(Br)cccc1CCN.
What is the InChIKey of 2-(3-bromo-2-ethoxyphenyl)ethanamine?
The InChIKey is OPWXWFDTPQHCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-13-10-8(6-7-12)4-3-5-9(10)11/h3-5H,2,6-7,12H2,1H3.
What are the key properties of 2-(3-bromo-2-ethoxyphenyl)ethanamine?
2-(3-bromo-2-ethoxyphenyl)ethanamine has a molecular weight of 244.13 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 61391880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).