2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol

C12H16BrNO — CID 61390496

IUPAC2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
SMILESCC(NCc1cccc(Br)c1O)C1CC1
InChIInChI=1S/C12H16BrNO/c1-8(9-5-6-9)14-7-10-3-2-4-11(13)12(10)15/h2-4,8-9,14-15H,5-7H2,1H3
InChIKeyCTEZJBLCQMZQHU-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol

2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol (PubChem CID 61390496) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
PubChem CID61390496
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
SMILESCC(NCc1cccc(Br)c1O)C1CC1
InChIInChI=1S/C12H16BrNO/c1-8(9-5-6-9)14-7-10-3-2-4-11(13)12(10)15/h2-4,8-9,14-15H,5-7H2,1H3
InChIKeyCTEZJBLCQMZQHU-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.04
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

2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
CID 113355725
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
CID 81389459
2-bromo-6-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]phenol
CID 79254797
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
2-bromo-6-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81350041
(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 97102481
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730932
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol (CID 61390496) is 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol is CC(NCc1cccc(Br)c1O)C1CC1.
What is the InChIKey of 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol?
The InChIKey is CTEZJBLCQMZQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(9-5-6-9)14-7-10-3-2-4-11(13)12(10)15/h2-4,8-9,14-15H,5-7H2,1H3.
What are the key properties of 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol?
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol has a molecular weight of 270.17 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol is sourced from PubChem (CID 61390496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).