N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine

C16H24ClNO2 — CID 79918442

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOc1cc(Cl)c(C)cc1NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H24ClNO2/c1-10-7-12(13(19-6)8-11(10)17)18-14-9-15(2,3)20-16(14,4)5/h7-8,14,18H,9H2,1-6H3
InChIKeySOAURRKXNMFTGX-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.42
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79918442) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79918442
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOc1cc(Cl)c(C)cc1NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H24ClNO2/c1-10-7-12(13(19-6)8-11(10)17)18-14-9-15(2,3)20-16(14,4)5/h7-8,14,18H,9H2,1-6H3
InChIKeySOAURRKXNMFTGX-UHFFFAOYSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-4-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79928376
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657991
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
6-chloro-2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
CID 133439572
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline
CID 116521073
N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 107632414
4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
CID 29287778
1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018172
methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79916587
N-(4-bromo-2,3-dichlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 107787644
4-chloro-2-methoxy-5-methyl-N-(3-phenylcyclobutyl)aniline
CID 43632094

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79918442) is N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine is COc1cc(Cl)c(C)cc1NC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is SOAURRKXNMFTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10-7-12(13(19-6)8-11(10)17)18-14-9-15(2,3)20-16(14,4)5/h7-8,14,18H,9H2,1-6H3.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 297.83 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79918442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).