4-(4-methoxy-2-methylanilino)oxolan-3-ol

C12H17NO3 — CID 62871149

IUPAC4-(4-methoxy-2-methylanilino)oxolan-3-ol
SMILESCOc1ccc(NC2COCC2O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-8-5-9(15-2)3-4-10(8)13-11-6-16-7-12(11)14/h3-5,11-14H,6-7H2,1-2H3
InChIKeyDVABSCJMXSPGKA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.18
Rot. Bonds3

About 4-(4-methoxy-2-methylanilino)oxolan-3-ol

4-(4-methoxy-2-methylanilino)oxolan-3-ol (PubChem CID 62871149) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(4-methoxy-2-methylanilino)oxolan-3-ol
PubChem CID62871149
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-(4-methoxy-2-methylanilino)oxolan-3-ol
SMILESCOc1ccc(NC2COCC2O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-8-5-9(15-2)3-4-10(8)13-11-6-16-7-12(11)14/h3-5,11-14H,6-7H2,1-2H3
InChIKeyDVABSCJMXSPGKA-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyanilino)oxolan-3-ol
CID 60902076
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
CID 93384487
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
N-(4-methoxy-2-methylphenyl)-1-oxothian-4-amine
CID 62871144
4-(4-methoxy-2-nitroanilino)oxolane-3-carboxylic acid
CID 66238912
N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
CID 63477895
N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62871140
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349039

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylanilino)oxolan-3-ol?
The IUPAC name of 4-(4-methoxy-2-methylanilino)oxolan-3-ol (CID 62871149) is 4-(4-methoxy-2-methylanilino)oxolan-3-ol.
What is the SMILES notation for 4-(4-methoxy-2-methylanilino)oxolan-3-ol?
The canonical SMILES for 4-(4-methoxy-2-methylanilino)oxolan-3-ol is COc1ccc(NC2COCC2O)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylanilino)oxolan-3-ol?
The InChIKey is DVABSCJMXSPGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-9(15-2)3-4-10(8)13-11-6-16-7-12(11)14/h3-5,11-14H,6-7H2,1-2H3.
What are the key properties of 4-(4-methoxy-2-methylanilino)oxolan-3-ol?
4-(4-methoxy-2-methylanilino)oxolan-3-ol has a molecular weight of 223.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylanilino)oxolan-3-ol is sourced from PubChem (CID 62871149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).