N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine

C15H23NO2 — CID 115655223

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCOc1ccc(C)cc1CNC(C)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-4-5-15(17-3)14(8-11)9-16-12(2)13-6-7-18-10-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3
InChIKeyRHGQKTHZAQWLPM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds5

About N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115655223) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115655223
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCOc1ccc(C)cc1CNC(C)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-4-5-15(17-3)14(8-11)9-16-12(2)13-6-7-18-10-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3
InChIKeyRHGQKTHZAQWLPM-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113243362
1-(oxolan-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 115655170
4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 104646424
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(oxolan-3-yl)ethanamine
CID 115889295
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
2-bromo-6-methoxy-4-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115671294

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115655223) is N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine is COc1ccc(C)cc1CNC(C)C1CCOC1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is RHGQKTHZAQWLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-5-15(17-3)14(8-11)9-16-12(2)13-6-7-18-10-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.52, 5 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)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115655223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).