2,4-dichloro-6-[(cyclobutylamino)methyl]phenol

C11H13Cl2NO — CID 62416291

IUPAC2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNC1CCC1
InChIInChI=1S/C11H13Cl2NO/c12-8-4-7(11(15)10(13)5-8)6-14-9-2-1-3-9/h4-5,9,14-15H,1-3,6H2
InChIKeyIVDJJTWRAHOYBH-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.34
Rot. Bonds3

About 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol

2,4-dichloro-6-[(cyclobutylamino)methyl]phenol (PubChem CID 62416291) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
PubChem CID62416291
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNC1CCC1
InChIInChI=1S/C11H13Cl2NO/c12-8-4-7(11(15)10(13)5-8)6-14-9-2-1-3-9/h4-5,9,14-15H,1-3,6H2
InChIKeyIVDJJTWRAHOYBH-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.34
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

2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
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-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588001
2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965532
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79861227
2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol
CID 63478365
2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol
CID 56803551
2,4-dichloro-6-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
CID 80602195
2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol
CID 83007449

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol (CID 62416291) is 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNC1CCC1.
What is the InChIKey of 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol?
The InChIKey is IVDJJTWRAHOYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-8-4-7(11(15)10(13)5-8)6-14-9-2-1-3-9/h4-5,9,14-15H,1-3,6H2.
What are the key properties of 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol?
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol has a molecular weight of 246.14 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(cyclobutylamino)methyl]phenol is sourced from PubChem (CID 62416291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).