2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol

C17H20BrNO2 — CID 61391582

IUPAC2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
SMILESCOc1ccccc1CC(C)NCc1cccc(Br)c1O
InChIInChI=1S/C17H20BrNO2/c1-12(10-13-6-3-4-9-16(13)21-2)19-11-14-7-5-8-15(18)17(14)20/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyRYHMILGGNIFIDY-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.88
Rot. Bonds6

About 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol

2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol (PubChem CID 61391582) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
PubChem CID61391582
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
SMILESCOc1ccccc1CC(C)NCc1cccc(Br)c1O
InChIInChI=1S/C17H20BrNO2/c1-12(10-13-6-3-4-9-16(13)21-2)19-11-14-7-5-8-15(18)17(14)20/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyRYHMILGGNIFIDY-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-6-methylphenol
CID 115904873
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 81432305
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-[[3-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119165099
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
2-bromo-6-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]phenol
CID 79254797
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol (CID 61391582) is 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol is COc1ccccc1CC(C)NCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol?
The InChIKey is RYHMILGGNIFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(10-13-6-3-4-9-16(13)21-2)19-11-14-7-5-8-15(18)17(14)20/h3-9,12,19-20H,10-11H2,1-2H3.
What are the key properties of 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol?
2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol has a molecular weight of 350.26 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 61391582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).