2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol

C12H16BrNO2 — CID 117460851

IUPAC2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
SMILESNCC(O)c1cccc(OCC2CC2)c1Br
InChIInChI=1S/C12H16BrNO2/c13-12-9(10(15)6-14)2-1-3-11(12)16-7-8-4-5-8/h1-3,8,10,15H,4-7,14H2
InChIKeyYTZIBJKRZGLXRL-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.23
Rot. Bonds5

About 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol

2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol (PubChem CID 117460851) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
PubChem CID117460851
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
SMILESNCC(O)c1cccc(OCC2CC2)c1Br
InChIInChI=1S/C12H16BrNO2/c13-12-9(10(15)6-14)2-1-3-11(12)16-7-8-4-5-8/h1-3,8,10,15H,4-7,14H2
InChIKeyYTZIBJKRZGLXRL-UHFFFAOYSA-N
XLogP2.23
TPSA55.48 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117483105
4-[[2-bromo-3-(difluoromethyl)phenoxy]methyl]piperidine
CID 167530103
2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
CID 171373950
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458882
O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117461107
(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117495028
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117392899
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
CID 139460540

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol (CID 117460851) is 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol is NCC(O)c1cccc(OCC2CC2)c1Br.
What is the InChIKey of 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol?
The InChIKey is YTZIBJKRZGLXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-12-9(10(15)6-14)2-1-3-11(12)16-7-8-4-5-8/h1-3,8,10,15H,4-7,14H2.
What are the key properties of 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol?
2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol has a molecular weight of 286.17 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol is sourced from PubChem (CID 117460851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).