1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol

C12H16BrNO2 — CID 117460897

IUPAC1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Br)ccc1OC1CC1
InChIInChI=1S/C12H16BrNO2/c1-14-7-11(15)10-6-8(13)2-5-12(10)16-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3
InChIKeyBFTNNIBZRPFLPI-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.24
Rot. Bonds5

About 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol

1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol (PubChem CID 117460897) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
PubChem CID117460897
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Br)ccc1OC1CC1
InChIInChI=1S/C12H16BrNO2/c1-14-7-11(15)10-6-8(13)2-5-12(10)16-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3
InChIKeyBFTNNIBZRPFLPI-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117499840
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117489126
3-amino-3-(5-bromo-2-cyclopropyloxyphenyl)propanoic acid
CID 117483188
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958654
3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
CID 115403052
1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
CID 117376905
3-(5-bromo-2-cyclobutyloxyphenyl)butanal
CID 117478597
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol
CID 82277649

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol (CID 117460897) is 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Br)ccc1OC1CC1.
What is the InChIKey of 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol?
The InChIKey is BFTNNIBZRPFLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-14-7-11(15)10-6-8(13)2-5-12(10)16-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3.
What are the key properties of 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol?
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol has a molecular weight of 286.17 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117460897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).