4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline

C14H22N2O2 — CID 61431012

IUPAC4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
SMILESCN(CCOc1ccc(N)cc1)CC1CCCO1
InChIInChI=1S/C14H22N2O2/c1-16(11-14-3-2-9-17-14)8-10-18-13-6-4-12(15)5-7-13/h4-7,14H,2-3,8-11,15H2,1H3
InChIKeyIEIZAEMBLWWNFQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.76
Rot. Bonds6

About 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline

4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline (PubChem CID 61431012) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
PubChem CID61431012
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
SMILESCN(CCOc1ccc(N)cc1)CC1CCCO1
InChIInChI=1S/C14H22N2O2/c1-16(11-14-3-2-9-17-14)8-10-18-13-6-4-12(15)5-7-13/h4-7,14H,2-3,8-11,15H2,1H3
InChIKeyIEIZAEMBLWWNFQ-UHFFFAOYSA-N
XLogP1.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 91834866
2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
CID 61432522
4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
CID 63726412
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62436955
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
2-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 61432572
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline?
The IUPAC name of 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline (CID 61431012) is 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline.
What is the SMILES notation for 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline?
The canonical SMILES for 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline is CN(CCOc1ccc(N)cc1)CC1CCCO1.
What is the InChIKey of 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline?
The InChIKey is IEIZAEMBLWWNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(11-14-3-2-9-17-14)8-10-18-13-6-4-12(15)5-7-13/h4-7,14H,2-3,8-11,15H2,1H3.
What are the key properties of 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline?
4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline has a molecular weight of 250.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline is sourced from PubChem (CID 61431012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).