1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol

C12H15BrFNO2 — CID 117489126

IUPAC1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)cc(Br)c1OC1CC1
InChIInChI=1S/C12H15BrFNO2/c1-15-6-11(16)9-4-7(14)5-10(13)12(9)17-8-2-3-8/h4-5,8,11,15-16H,2-3,6H2,1H3
InChIKeyIOZNMPISECKCSL-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol

1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 117489126) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
PubChem CID117489126
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)cc(Br)c1OC1CC1
InChIInChI=1S/C12H15BrFNO2/c1-15-6-11(16)9-4-7(14)5-10(13)12(9)17-8-2-3-8/h4-5,8,11,15-16H,2-3,6H2,1H3
InChIKeyIOZNMPISECKCSL-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117403462
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
CID 117460897
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
CID 117441591
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
CID 117444120
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565
2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene
CID 164786407
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol (CID 117489126) is 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(F)cc(Br)c1OC1CC1.
What is the InChIKey of 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is IOZNMPISECKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-15-6-11(16)9-4-7(14)5-10(13)12(9)17-8-2-3-8/h4-5,8,11,15-16H,2-3,6H2,1H3.
What are the key properties of 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol?
1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol has a molecular weight of 304.16 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117489126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).