2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol

C12H15Cl2NO2 — CID 104588001

IUPAC2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
SMILESCOC1CC(NCc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C12H15Cl2NO2/c1-17-10-4-9(5-10)15-6-7-2-8(13)3-11(14)12(7)16/h2-3,9-10,15-16H,4-6H2,1H3
InChIKeyMZJWLYUMALMRRQ-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.97
Rot. Bonds4

About 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol

2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol (PubChem CID 104588001) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
PubChem CID104588001
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
SMILESCOC1CC(NCc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C12H15Cl2NO2/c1-17-10-4-9(5-10)15-6-7-2-8(13)3-11(14)12(7)16/h2-3,9-10,15-16H,4-6H2,1H3
InChIKeyMZJWLYUMALMRRQ-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-[[(3-methoxycyclobutyl)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

2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965532
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
CID 54917129
2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588033
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol
CID 56803551
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
tert-butyl 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103748570
2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
CID 82709104
2,4-dichloro-6-[(ethoxyamino)methyl]phenol
CID 82710474

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol (CID 104588001) is 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol is COC1CC(NCc2cc(Cl)cc(Cl)c2O)C1.
What is the InChIKey of 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol?
The InChIKey is MZJWLYUMALMRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-17-10-4-9(5-10)15-6-7-2-8(13)3-11(14)12(7)16/h2-3,9-10,15-16H,4-6H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol?
2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol has a molecular weight of 276.16 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol is sourced from PubChem (CID 104588001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).