2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol

C13H20BrNO2 — CID 61050211

IUPAC2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol
SMILESCCC(C)NC(CO)c1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO2/c1-4-9(2)15-12(8-16)11-7-10(14)5-6-13(11)17-3/h5-7,9,12,15-16H,4,8H2,1-3H3
InChIKeySODKEMNXIFNNDX-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.88
Rot. Bonds6

About 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol

2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol (PubChem CID 61050211) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol
PubChem CID61050211
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol
SMILESCCC(C)NC(CO)c1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO2/c1-4-9(2)15-12(8-16)11-7-10(14)5-6-13(11)17-3/h5-7,9,12,15-16H,4,8H2,1-3H3
InChIKeySODKEMNXIFNNDX-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-2-(2-hydroxyethylamino)ethanol
CID 66490760
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
4-(5-bromo-2-methoxyphenyl)-4-(methylamino)butan-2-one
CID 116956001
1-[1-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]-3-tert-butylurea
CID 86779098
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
CID 61048862
2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860316

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol (CID 61050211) is 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol is CCC(C)NC(CO)c1cc(Br)ccc1OC.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol?
The InChIKey is SODKEMNXIFNNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-4-9(2)15-12(8-16)11-7-10(14)5-6-13(11)17-3/h5-7,9,12,15-16H,4,8H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol?
2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol has a molecular weight of 302.21 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol is sourced from PubChem (CID 61050211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).