2-chloro-6-[(oxolan-3-ylamino)methyl]phenol

C11H14ClNO2 — CID 112554992

IUPAC2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNC1CCOC1
InChIInChI=1S/C11H14ClNO2/c12-10-3-1-2-8(11(10)14)6-13-9-4-5-15-7-9/h1-3,9,13-14H,4-7H2
InChIKeyJLHVRUKTIBACLQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.92
Rot. Bonds3

About 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol

2-chloro-6-[(oxolan-3-ylamino)methyl]phenol (PubChem CID 112554992) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
PubChem CID112554992
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNC1CCOC1
InChIInChI=1S/C11H14ClNO2/c12-10-3-1-2-8(11(10)14)6-13-9-4-5-15-7-9/h1-3,9,13-14H,4-7H2
InChIKeyJLHVRUKTIBACLQ-UHFFFAOYSA-N
XLogP1.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.92
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-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
CID 112606932
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
CID 63335644
N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 130299984
N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine
CID 126997872
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965690
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol (CID 112554992) is 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol is Oc1c(Cl)cccc1CNC1CCOC1.
What is the InChIKey of 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol?
The InChIKey is JLHVRUKTIBACLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10-3-1-2-8(11(10)14)6-13-9-4-5-15-7-9/h1-3,9,13-14H,4-7H2.
What are the key properties of 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol?
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol has a molecular weight of 227.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(oxolan-3-ylamino)methyl]phenol is sourced from PubChem (CID 112554992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).