2-(2-amino-4-bromo-N-propylanilino)ethanol

C11H17BrN2O — CID 61424928

IUPAC2-(2-amino-4-bromo-N-propylanilino)ethanol
SMILESCCCN(CCO)c1ccc(Br)cc1N
InChIInChI=1S/C11H17BrN2O/c1-2-5-14(6-7-15)11-4-3-9(12)8-10(11)13/h3-4,8,15H,2,5-7,13H2,1H3
InChIKeyVIYSAYYCUVCKFR-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-amino-4-bromo-N-propylanilino)ethanol

2-(2-amino-4-bromo-N-propylanilino)ethanol (PubChem CID 61424928) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-N-propylanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-bromo-N-propylanilino)ethanol
PubChem CID61424928
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-(2-amino-4-bromo-N-propylanilino)ethanol
SMILESCCCN(CCO)c1ccc(Br)cc1N
InChIInChI=1S/C11H17BrN2O/c1-2-5-14(6-7-15)11-4-3-9(12)8-10(11)13/h3-4,8,15H,2,5-7,13H2,1H3
InChIKeyVIYSAYYCUVCKFR-UHFFFAOYSA-N
XLogP2.24
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
CID 112737492
2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
CID 61424896
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
CID 144540155
2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol
CID 65483629
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
2-(4-bromo-N-butyl-2-nitroanilino)ethanol
CID 61448290
2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol
CID 115554676
2-[5-bromo-N-butyl-2-(trifluoromethyl)anilino]ethanol
CID 107289794
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide
CID 65343338

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-N-propylanilino)ethanol?
The IUPAC name of 2-(2-amino-4-bromo-N-propylanilino)ethanol (CID 61424928) is 2-(2-amino-4-bromo-N-propylanilino)ethanol.
What is the SMILES notation for 2-(2-amino-4-bromo-N-propylanilino)ethanol?
The canonical SMILES for 2-(2-amino-4-bromo-N-propylanilino)ethanol is CCCN(CCO)c1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromo-N-propylanilino)ethanol?
The InChIKey is VIYSAYYCUVCKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-2-5-14(6-7-15)11-4-3-9(12)8-10(11)13/h3-4,8,15H,2,5-7,13H2,1H3.
What are the key properties of 2-(2-amino-4-bromo-N-propylanilino)ethanol?
2-(2-amino-4-bromo-N-propylanilino)ethanol has a molecular weight of 273.17 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 2-(2-amino-4-bromo-N-propylanilino)ethanol is sourced from PubChem (CID 61424928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).