4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline

C15H24N2O2 — CID 107208296

IUPAC4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
SMILESCCN(Cc1ccc(N)cc1OC)CC1CCCO1
InChIInChI=1S/C15H24N2O2/c1-3-17(11-14-5-4-8-19-14)10-12-6-7-13(16)9-15(12)18-2/h6-7,9,14H,3-5,8,10-11,16H2,1-2H3
InChIKeyYJAZFKKZOMWJOA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds6

About 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline

4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline (PubChem CID 107208296) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
PubChem CID107208296
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
SMILESCCN(Cc1ccc(N)cc1OC)CC1CCCO1
InChIInChI=1S/C15H24N2O2/c1-3-17(11-14-5-4-8-19-14)10-12-6-7-13(16)9-15(12)18-2/h6-7,9,14H,3-5,8,10-11,16H2,1-2H3
InChIKeyYJAZFKKZOMWJOA-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 91769778
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46962832
N-[(2,4-dimethoxyphenyl)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497130
N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646762
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline?
The IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline (CID 107208296) is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline.
What is the SMILES notation for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline?
The canonical SMILES for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline is CCN(Cc1ccc(N)cc1OC)CC1CCCO1.
What is the InChIKey of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline?
The InChIKey is YJAZFKKZOMWJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17(11-14-5-4-8-19-14)10-12-6-7-13(16)9-15(12)18-2/h6-7,9,14H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline?
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline has a molecular weight of 264.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline is sourced from PubChem (CID 107208296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).