1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine

C16H24BrNO3 — CID 103162727

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)c2cc(OC)c(OC)cc2Br)C1
InChIInChI=1S/C16H24BrNO3/c1-4-21-11-5-10(6-11)7-14(18)12-8-15(19-2)16(20-3)9-13(12)17/h8-11,14H,4-7,18H2,1-3H3
InChIKeyNCDHZRCKTAFTFQ-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.67
Rot. Bonds7

About 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine (PubChem CID 103162727) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
PubChem CID103162727
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)c2cc(OC)c(OC)cc2Br)C1
InChIInChI=1S/C16H24BrNO3/c1-4-21-11-5-10(6-11)7-14(18)12-8-15(19-2)16(20-3)9-13(12)17/h8-11,14H,4-7,18H2,1-3H3
InChIKeyNCDHZRCKTAFTFQ-UHFFFAOYSA-N
XLogP3.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162744
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103168825
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
CID 103165706
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234340
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162864
1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
CID 43118223
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168715
3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
CID 54935342
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine (CID 103162727) is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine is CCOC1CC(CC(N)c2cc(OC)c(OC)cc2Br)C1.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The InChIKey is NCDHZRCKTAFTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-4-21-11-5-10(6-11)7-14(18)12-8-15(19-2)16(20-3)9-13(12)17/h8-11,14H,4-7,18H2,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine has a molecular weight of 358.28 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine is sourced from PubChem (CID 103162727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).