5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol

C13H18BrNO — CID 104583290

IUPAC5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
SMILESCC(NCCC1CC1)c1ccc(Br)cc1O
InChIInChI=1S/C13H18BrNO/c1-9(15-7-6-10-2-3-10)12-5-4-11(14)8-13(12)16/h4-5,8-10,15-16H,2-3,6-7H2,1H3
InChIKeyYBGBCZXUVCMPHE-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.61
Rot. Bonds5

About 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol

5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol (PubChem CID 104583290) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
PubChem CID104583290
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
SMILESCC(NCCC1CC1)c1ccc(Br)cc1O
InChIInChI=1S/C13H18BrNO/c1-9(15-7-6-10-2-3-10)12-5-4-11(14)8-13(12)16/h4-5,8-10,15-16H,2-3,6-7H2,1H3
InChIKeyYBGBCZXUVCMPHE-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
5-bromo-2-[1-(3-hydroxybutylamino)ethyl]phenol
CID 104582475
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
5-bromo-2-[1-(3-methylsulfanylpropylamino)ethyl]phenol
CID 104582561
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol?
The IUPAC name of 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol (CID 104583290) is 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol.
What is the SMILES notation for 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol?
The canonical SMILES for 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol is CC(NCCC1CC1)c1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol?
The InChIKey is YBGBCZXUVCMPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(15-7-6-10-2-3-10)12-5-4-11(14)8-13(12)16/h4-5,8-10,15-16H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol?
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol has a molecular weight of 284.20 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol is sourced from PubChem (CID 104583290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).