2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline

C15H23NO2 — CID 115929063

IUPAC2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCCOc1cc(C)ccc1NC(C)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-4-18-15-9-11(2)5-6-14(15)16-12(3)13-7-8-17-10-13/h5-6,9,12-13,16H,4,7-8,10H2,1-3H3
InChIKeyIXGKSTXNWOZCPL-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.23
Rot. Bonds5

About 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline

2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline (PubChem CID 115929063) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
PubChem CID115929063
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCCOc1cc(C)ccc1NC(C)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-4-18-15-9-11(2)5-6-14(15)16-12(3)13-7-8-17-10-13/h5-6,9,12-13,16H,4,7-8,10H2,1-3H3
InChIKeyIXGKSTXNWOZCPL-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115925815
2-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115916579
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline
CID 115929019
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
3-chloro-N-[1-(oxolan-3-yl)ethyl]-4-propoxyaniline
CID 115917798
2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 62535868
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol
CID 113429377
3-(2,2-difluoroethoxy)-4-methyl-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]aniline
CID 124628141

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The IUPAC name of 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline (CID 115929063) is 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline.
What is the SMILES notation for 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The canonical SMILES for 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline is CCOc1cc(C)ccc1NC(C)C1CCOC1.
What is the InChIKey of 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The InChIKey is IXGKSTXNWOZCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-15-9-11(2)5-6-14(15)16-12(3)13-7-8-17-10-13/h5-6,9,12-13,16H,4,7-8,10H2,1-3H3.
What are the key properties of 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline?
2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline has a molecular weight of 249.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline is sourced from PubChem (CID 115929063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).