2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol

C12H16BrNO2 — CID 104588033

IUPAC2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
SMILESCOC1CC(NCc2cccc(Br)c2O)C1
InChIInChI=1S/C12H16BrNO2/c1-16-10-5-9(6-10)14-7-8-3-2-4-11(13)12(8)15/h2-4,9-10,14-15H,5-7H2,1H3
InChIKeyMQXSXDZHUPBLQT-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.42
Rot. Bonds4

About 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol

2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol (PubChem CID 104588033) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
PubChem CID104588033
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
SMILESCOC1CC(NCc2cccc(Br)c2O)C1
InChIInChI=1S/C12H16BrNO2/c1-16-10-5-9(6-10)14-7-8-3-2-4-11(13)12(8)15/h2-4,9-10,14-15H,5-7H2,1H3
InChIKeyMQXSXDZHUPBLQT-UHFFFAOYSA-N
XLogP2.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.42
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-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115696332
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
N-[2-[[(3-methoxycyclobutyl)amino]methyl]phenyl]acetamide
CID 113429848
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588001
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
CID 104870820
N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104756829
3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
CID 104588014
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
2-bromo-6-[(ethoxyamino)methyl]phenol
CID 82709957

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol (CID 104588033) is 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol is COC1CC(NCc2cccc(Br)c2O)C1.
What is the InChIKey of 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol?
The InChIKey is MQXSXDZHUPBLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-10-5-9(6-10)14-7-8-3-2-4-11(13)12(8)15/h2-4,9-10,14-15H,5-7H2,1H3.
What are the key properties of 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol?
2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol has a molecular weight of 286.17 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol is sourced from PubChem (CID 104588033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).