2-[2-(azocan-1-yl)ethoxy]aniline

C15H24N2O — CID 43174279

IUPAC2-[2-(azocan-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCN1CCCCCCC1
InChIInChI=1S/C15H24N2O/c16-14-8-4-5-9-15(14)18-13-12-17-10-6-2-1-3-7-11-17/h4-5,8-9H,1-3,6-7,10-13,16H2
InChIKeyYWIJWBADNLFYCO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.91
Rot. Bonds4

About 2-[2-(azocan-1-yl)ethoxy]aniline

2-[2-(azocan-1-yl)ethoxy]aniline (PubChem CID 43174279) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-(azocan-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(azocan-1-yl)ethoxy]aniline
PubChem CID43174279
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[2-(azocan-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCN1CCCCCCC1
InChIInChI=1S/C15H24N2O/c16-14-8-4-5-9-15(14)18-13-12-17-10-6-2-1-3-7-11-17/h4-5,8-9H,1-3,6-7,10-13,16H2
InChIKeyYWIJWBADNLFYCO-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
4-[2-(2-aminophenoxy)ethyl]piperazine-1-carbaldehyde
CID 82087161
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 62376118
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
4-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 61102870
2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline
CID 175107954
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-[2-(3,3-dimethoxyazetidin-1-yl)ethoxy]aniline
CID 79688995
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 62636073

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azocan-1-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(azocan-1-yl)ethoxy]aniline (CID 43174279) is 2-[2-(azocan-1-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(azocan-1-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(azocan-1-yl)ethoxy]aniline is Nc1ccccc1OCCN1CCCCCCC1.
What is the InChIKey of 2-[2-(azocan-1-yl)ethoxy]aniline?
The InChIKey is YWIJWBADNLFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-14-8-4-5-9-15(14)18-13-12-17-10-6-2-1-3-7-11-17/h4-5,8-9H,1-3,6-7,10-13,16H2.
What are the key properties of 2-[2-(azocan-1-yl)ethoxy]aniline?
2-[2-(azocan-1-yl)ethoxy]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azocan-1-yl)ethoxy]aniline is sourced from PubChem (CID 43174279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).