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

C12H16ClNO2 — CID 112554095

IUPAC2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNCC1CCOC1
InChIInChI=1S/C12H16ClNO2/c13-11-3-1-2-10(12(11)15)7-14-6-9-4-5-16-8-9/h1-3,9,14-15H,4-8H2
InChIKeyPLMHDPHCFSXXFL-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.17
Rot. Bonds4

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

2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol (PubChem CID 112554095) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
PubChem CID112554095
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNCC1CCOC1
InChIInChI=1S/C12H16ClNO2/c13-11-3-1-2-10(12(11)15)7-14-6-9-4-5-16-8-9/h1-3,9,14-15H,4-8H2
InChIKeyPLMHDPHCFSXXFL-UHFFFAOYSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.17
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

N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992
2-bromo-6-[(oxan-3-ylmethylamino)methyl]phenol
CID 61392158
N-[(2,5-dichlorophenyl)methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 96982783
2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107412029
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol (CID 112554095) is 2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol is Oc1c(Cl)cccc1CNCC1CCOC1.
What is the InChIKey of 2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol?
The InChIKey is PLMHDPHCFSXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-3-1-2-10(12(11)15)7-14-6-9-4-5-16-8-9/h1-3,9,14-15H,4-8H2.
What are the key properties of 2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol?
2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol has a molecular weight of 241.72 g/mol, XLogP of 2.17, 4 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-ylmethylamino)methyl]phenol is sourced from PubChem (CID 112554095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).