3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol

C13H18ClNO2 — CID 106100587

IUPAC3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
SMILESCc1ccc(CNCC2(O)CCOC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-10-2-3-11(12(14)6-10)7-15-8-13(16)4-5-17-9-13/h2-3,6,15-16H,4-5,7-9H2,1H3
InChIKeyUFJOUNRTYANOSG-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.89
Rot. Bonds4

About 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol

3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 106100587) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
PubChem CID106100587
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
SMILESCc1ccc(CNCC2(O)CCOC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-10-2-3-11(12(14)6-10)7-15-8-13(16)4-5-17-9-13/h2-3,6,15-16H,4-5,7-9H2,1H3
InChIKeyUFJOUNRTYANOSG-UHFFFAOYSA-N
XLogP1.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 106100683
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
1-[[(2-chloro-4-methylphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106862776
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-chloro-4-methylphenyl)methanamine
CID 106869882
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100066
3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848244
[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
CID 106870599
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 114842509

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol (CID 106100587) is 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol is Cc1ccc(CNCC2(O)CCOC2)c(Cl)c1.
What is the InChIKey of 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is UFJOUNRTYANOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10-2-3-11(12(14)6-10)7-15-8-13(16)4-5-17-9-13/h2-3,6,15-16H,4-5,7-9H2,1H3.
What are the key properties of 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol?
3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 255.74 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).