2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol

C11H16BrNO2 — CID 148725650

IUPAC2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol
SMILESCCOC(O)C(C)(N)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2/c1-3-15-10(14)11(2,13)8-4-6-9(12)7-5-8/h4-7,10,14H,3,13H2,1-2H3
InChIKeyNZYMLZBMOJKCRT-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol

2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol (PubChem CID 148725650) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol.

Molecular Properties

Compound Name2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol
PubChem CID148725650
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol
SMILESCCOC(O)C(C)(N)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2/c1-3-15-10(14)11(2,13)8-4-6-9(12)7-5-8/h4-7,10,14H,3,13H2,1-2H3
InChIKeyNZYMLZBMOJKCRT-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine
CID 115624963
2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride
CID 75525874
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
ethyl 3-(4-bromophenyl)-3-fluorobutanoate
CID 146012954
ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
ethyl 3-(4-bromophenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62396402
diethyl 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]propanedioate
CID 15711983
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol?
The IUPAC name of 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol (CID 148725650) is 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol.
What is the SMILES notation for 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol?
The canonical SMILES for 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol is CCOC(O)C(C)(N)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol?
The InChIKey is NZYMLZBMOJKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-15-10(14)11(2,13)8-4-6-9(12)7-5-8/h4-7,10,14H,3,13H2,1-2H3.
What are the key properties of 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol?
2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol has a molecular weight of 274.16 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromophenyl)-1-ethoxypropan-1-ol is sourced from PubChem (CID 148725650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).