1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine

C15H23NO2 — CID 54932279

IUPAC1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOc1cc(C)ccc1C(C)NCC1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-4-5-14(15(8-11)17-3)12(2)16-9-13-6-7-18-10-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3
InChIKeyASTPEJFKAGQGPZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.69
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine

1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 54932279) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID54932279
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOc1cc(C)ccc1C(C)NCC1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-4-5-14(15(8-11)17-3)12(2)16-9-13-6-7-18-10-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3
InChIKeyASTPEJFKAGQGPZ-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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014378
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 63639940
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 107386619
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 54932279) is 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine is COc1cc(C)ccc1C(C)NCC1CCOC1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is ASTPEJFKAGQGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-5-14(15(8-11)17-3)12(2)16-9-13-6-7-18-10-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)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 1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 54932279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).