3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline

C17H29NO3 — CID 58828283

IUPAC3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline
SMILESCCCCCCOCCOCCOc1cccc(NC)c1
InChIInChI=1S/C17H29NO3/c1-3-4-5-6-10-19-11-12-20-13-14-21-17-9-7-8-16(15-17)18-2/h7-9,15,18H,3-6,10-14H2,1-2H3
InChIKeyOVODALSBKIJPOL-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.72
Rot. Bonds13

About 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline

3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline (PubChem CID 58828283) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline.

Molecular Properties

Compound Name3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline
PubChem CID58828283
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline
SMILESCCCCCCOCCOCCOc1cccc(NC)c1
InChIInChI=1S/C17H29NO3/c1-3-4-5-6-10-19-11-12-20-13-14-21-17-9-7-8-16(15-17)18-2/h7-9,15,18H,3-6,10-14H2,1-2H3
InChIKeyOVODALSBKIJPOL-UHFFFAOYSA-N
XLogP3.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
N-methyl-3-[(E)-octadec-9-enoxy]aniline;hydrochloride
CID 174998877
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
1,3-dihexadecoxybenzene
CID 12686834
3-octoxy-N-propan-2-ylaniline
CID 139718157
2-pentoxyethoxybenzene
CID 54431229
(3-hexoxyphenyl)cyanamide
CID 54806628
3-butoxy-N-octylaniline
CID 54800685
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline?
The IUPAC name of 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline (CID 58828283) is 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline.
What is the SMILES notation for 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline?
The canonical SMILES for 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline is CCCCCCOCCOCCOc1cccc(NC)c1.
What is the InChIKey of 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline?
The InChIKey is OVODALSBKIJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-4-5-6-10-19-11-12-20-13-14-21-17-9-7-8-16(15-17)18-2/h7-9,15,18H,3-6,10-14H2,1-2H3.
What are the key properties of 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline?
3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline has a molecular weight of 295.42 g/mol, XLogP of 3.72, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline is sourced from PubChem (CID 58828283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).