4-chloro-2-(2-pyridin-3-ylethoxy)aniline

C13H13ClN2O — CID 63264708

IUPAC4-chloro-2-(2-pyridin-3-ylethoxy)aniline
SMILESNc1ccc(Cl)cc1OCCc1cccnc1
InChIInChI=1S/C13H13ClN2O/c14-11-3-4-12(15)13(8-11)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7,15H2
InChIKeyONDXWYOFEBJHEO-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-2-(2-pyridin-3-ylethoxy)aniline

4-chloro-2-(2-pyridin-3-ylethoxy)aniline (PubChem CID 63264708) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-2-(2-pyridin-3-ylethoxy)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-pyridin-3-ylethoxy)aniline
PubChem CID63264708
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-2-(2-pyridin-3-ylethoxy)aniline
SMILESNc1ccc(Cl)cc1OCCc1cccnc1
InChIInChI=1S/C13H13ClN2O/c14-11-3-4-12(15)13(8-11)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7,15H2
InChIKeyONDXWYOFEBJHEO-UHFFFAOYSA-N
XLogP2.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.94
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

5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865
2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
CID 63598649
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid
CID 114674747
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63264977
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
3-[2-[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]ethyl]pyridine
CID 114675498
3-[2-[2-(4-chlorobut-1-ynyl)phenoxy]ethyl]pyridine
CID 63262801
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927
4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
CID 106954787

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-pyridin-3-ylethoxy)aniline?
The IUPAC name of 4-chloro-2-(2-pyridin-3-ylethoxy)aniline (CID 63264708) is 4-chloro-2-(2-pyridin-3-ylethoxy)aniline.
What is the SMILES notation for 4-chloro-2-(2-pyridin-3-ylethoxy)aniline?
The canonical SMILES for 4-chloro-2-(2-pyridin-3-ylethoxy)aniline is Nc1ccc(Cl)cc1OCCc1cccnc1.
What is the InChIKey of 4-chloro-2-(2-pyridin-3-ylethoxy)aniline?
The InChIKey is ONDXWYOFEBJHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-3-4-12(15)13(8-11)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7,15H2.
What are the key properties of 4-chloro-2-(2-pyridin-3-ylethoxy)aniline?
4-chloro-2-(2-pyridin-3-ylethoxy)aniline has a molecular weight of 248.71 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-pyridin-3-ylethoxy)aniline is sourced from PubChem (CID 63264708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).