N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine

C15H23NO2 — CID 61276557

IUPACN-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-4-16-15(12-7-8-18-10-12)14-6-5-13(17-3)9-11(14)2/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3
InChIKeyNVHSWZYOEFPMAA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.69
Rot. Bonds5

About N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine

N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 61276557) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID61276557
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-4-16-15(12-7-8-18-10-12)14-6-5-13(17-3)9-11(14)2/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3
InChIKeyNVHSWZYOEFPMAA-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[(2-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 62905667
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330427
1-(2-bromo-4-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276590
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
[(2,4-dimethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229519
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(oxolan-3-yl)methyl]propan-1-amine
CID 102754281

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine (CID 61276557) is N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1ccc(OC)cc1C)C1CCOC1.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is NVHSWZYOEFPMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16-15(12-7-8-18-10-12)14-6-5-13(17-3)9-11(14)2/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 61276557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).