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

C15H24N2O2 — CID 61433743

IUPAC5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
SMILESCCN(Cc1ccc(OC)c(N)c1)CC1CCCO1
InChIInChI=1S/C15H24N2O2/c1-3-17(11-13-5-4-8-19-13)10-12-6-7-15(18-2)14(16)9-12/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyCKYNFITZUFPLFQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds6

About 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline

5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline (PubChem CID 61433743) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
PubChem CID61433743
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
SMILESCCN(Cc1ccc(OC)c(N)c1)CC1CCCO1
InChIInChI=1S/C15H24N2O2/c1-3-17(11-13-5-4-8-19-13)10-12-6-7-15(18-2)14(16)9-12/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyCKYNFITZUFPLFQ-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

4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 91769778
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43818563
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol
CID 51497042
N-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 43818512
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879246

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline?
The IUPAC name of 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline (CID 61433743) is 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline.
What is the SMILES notation for 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline?
The canonical SMILES for 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline is CCN(Cc1ccc(OC)c(N)c1)CC1CCCO1.
What is the InChIKey of 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline?
The InChIKey is CKYNFITZUFPLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17(11-13-5-4-8-19-13)10-12-6-7-15(18-2)14(16)9-12/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline?
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-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 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline is sourced from PubChem (CID 61433743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).