N-(2-methoxy-5-methylphenyl)oxolan-3-amine

C12H17NO2 — CID 63331725

IUPACN-(2-methoxy-5-methylphenyl)oxolan-3-amine
SMILESCOc1ccc(C)cc1NC1CCOC1
InChIInChI=1S/C12H17NO2/c1-9-3-4-12(14-2)11(7-9)13-10-5-6-15-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyYYXBSEFXHAYBLB-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.20
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)oxolan-3-amine

N-(2-methoxy-5-methylphenyl)oxolan-3-amine (PubChem CID 63331725) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)oxolan-3-amine
PubChem CID63331725
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2-methoxy-5-methylphenyl)oxolan-3-amine
SMILESCOc1ccc(C)cc1NC1CCOC1
InChIInChI=1S/C12H17NO2/c1-9-3-4-12(14-2)11(7-9)13-10-5-6-15-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyYYXBSEFXHAYBLB-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
N-(2-bromo-5-methylphenyl)oxolan-3-amine
CID 82761747
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
CID 63335794
2-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
CID 80559082
4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)pyrrolidin-3-amine
CID 55139647
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148789
N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072841
N-(2-methoxy-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872051

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)oxolan-3-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)oxolan-3-amine (CID 63331725) is N-(2-methoxy-5-methylphenyl)oxolan-3-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)oxolan-3-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)oxolan-3-amine is COc1ccc(C)cc1NC1CCOC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)oxolan-3-amine?
The InChIKey is YYXBSEFXHAYBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-3-4-12(14-2)11(7-9)13-10-5-6-15-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)oxolan-3-amine?
N-(2-methoxy-5-methylphenyl)oxolan-3-amine has a molecular weight of 207.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 63331725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).