2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol

C11H13Br2NO2 — CID 107740875

IUPAC2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol
SMILESOc1c(Br)cc(CNC2CC(O)C2)cc1Br
InChIInChI=1S/C11H13Br2NO2/c12-9-1-6(2-10(13)11(9)16)5-14-7-3-8(15)4-7/h1-2,7-8,14-16H,3-5H2
InChIKeyMTXAOORPXVVJLD-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.53
Rot. Bonds3

About 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol

2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol (PubChem CID 107740875) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol
PubChem CID107740875
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol
SMILESOc1c(Br)cc(CNC2CC(O)C2)cc1Br
InChIInChI=1S/C11H13Br2NO2/c12-9-1-6(2-10(13)11(9)16)5-14-7-3-8(15)4-7/h1-2,7-8,14-16H,3-5H2
InChIKeyMTXAOORPXVVJLD-UHFFFAOYSA-N
XLogP2.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dibromo-4-[[(3-methylcyclopentyl)amino]methyl]phenol
CID 107741117
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol
CID 103603286
2,6-dibromo-4-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 107740537
2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 149151176
3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
CID 66408120
2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
CID 107740899
2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
CID 103720652
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
2,6-dibromo-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenol
CID 103602756
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol (CID 107740875) is 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol is Oc1c(Br)cc(CNC2CC(O)C2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol?
The InChIKey is MTXAOORPXVVJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c12-9-1-6(2-10(13)11(9)16)5-14-7-3-8(15)4-7/h1-2,7-8,14-16H,3-5H2.
What are the key properties of 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol?
2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol has a molecular weight of 351.04 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol is sourced from PubChem (CID 107740875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).