3-(1-pyridin-3-ylethoxy)aniline

C13H14N2O — CID 82036967

IUPAC3-(1-pyridin-3-ylethoxy)aniline
SMILESCC(Oc1cccc(N)c1)c1cccnc1
InChIInChI=1S/C13H14N2O/c1-10(11-4-3-7-15-9-11)16-13-6-2-5-12(14)8-13/h2-10H,14H2,1H3
InChIKeyNNOHFYKNMHQQSS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.80
Rot. Bonds3

About 3-(1-pyridin-3-ylethoxy)aniline

3-(1-pyridin-3-ylethoxy)aniline (PubChem CID 82036967) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(1-pyridin-3-ylethoxy)aniline.

Molecular Properties

Compound Name3-(1-pyridin-3-ylethoxy)aniline
PubChem CID82036967
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(1-pyridin-3-ylethoxy)aniline
SMILESCC(Oc1cccc(N)c1)c1cccnc1
InChIInChI=1S/C13H14N2O/c1-10(11-4-3-7-15-9-11)16-13-6-2-5-12(14)8-13/h2-10H,14H2,1H3
InChIKeyNNOHFYKNMHQQSS-UHFFFAOYSA-N
XLogP2.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.80
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

[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
CID 82037282
3-(1-pyridin-3-ylethoxy)benzaldehyde
CID 82037066
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691
5-(1-pyridin-3-ylethoxy)naphthalen-1-amine
CID 82037866
3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003
5-propan-2-yloxy-3-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 80723403
4-nitro-2-(1-pyridin-3-ylethoxy)aniline
CID 82037809
amino(pyridin-3-yl)methanethiol
CID 116939546
2-(3-aminophenoxy)propanamide
CID 43115971
2-(3-aminophenoxy)propan-1-ol
CID 130503390
(E)-3-(3-aminophenyl)-N-[(1R)-1-pyridin-3-ylethyl]prop-2-enamide
CID 115344800

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-3-ylethoxy)aniline?
The IUPAC name of 3-(1-pyridin-3-ylethoxy)aniline (CID 82036967) is 3-(1-pyridin-3-ylethoxy)aniline.
What is the SMILES notation for 3-(1-pyridin-3-ylethoxy)aniline?
The canonical SMILES for 3-(1-pyridin-3-ylethoxy)aniline is CC(Oc1cccc(N)c1)c1cccnc1.
What is the InChIKey of 3-(1-pyridin-3-ylethoxy)aniline?
The InChIKey is NNOHFYKNMHQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(11-4-3-7-15-9-11)16-13-6-2-5-12(14)8-13/h2-10H,14H2,1H3.
What are the key properties of 3-(1-pyridin-3-ylethoxy)aniline?
3-(1-pyridin-3-ylethoxy)aniline has a molecular weight of 214.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-3-ylethoxy)aniline is sourced from PubChem (CID 82036967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).