2-propoxy-6-pyridin-3-yloxyaniline

C14H16N2O2 — CID 113393434

IUPAC2-propoxy-6-pyridin-3-yloxyaniline
SMILESCCCOc1cccc(Oc2cccnc2)c1N
InChIInChI=1S/C14H16N2O2/c1-2-9-17-12-6-3-7-13(14(12)15)18-11-5-4-8-16-10-11/h3-8,10H,2,9,15H2,1H3
InChIKeyBWERQCKNHNCRBP-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.24
Rot. Bonds5

About 2-propoxy-6-pyridin-3-yloxyaniline

2-propoxy-6-pyridin-3-yloxyaniline (PubChem CID 113393434) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-propoxy-6-pyridin-3-yloxyaniline.

Molecular Properties

Compound Name2-propoxy-6-pyridin-3-yloxyaniline
PubChem CID113393434
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-propoxy-6-pyridin-3-yloxyaniline
SMILESCCCOc1cccc(Oc2cccnc2)c1N
InChIInChI=1S/C14H16N2O2/c1-2-9-17-12-6-3-7-13(14(12)15)18-11-5-4-8-16-10-11/h3-8,10H,2,9,15H2,1H3
InChIKeyBWERQCKNHNCRBP-UHFFFAOYSA-N
XLogP3.24
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-propoxyphenoxy)pyridin-3-amine
CID 113424320
2-methyl-3-pyridin-3-yloxypyridine
CID 172764474
2,6-dipyridin-3-yloxyphenol
CID 139940524
3-bromopyridine;3-(2-ethoxyphenoxy)pyridine
CID 118385972
3-octadecoxypyridine
CID 175800212
2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
CID 113370726
1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
CID 63815743
N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 43283704
2-ethoxy-6-(4-fluorophenoxy)aniline
CID 113392806
N-methylmethanamine;5-propoxy-4-pyridin-3-ylquinazolin-2-amine
CID 122510175
2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
CID 116792382
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-6-pyridin-3-yloxyaniline?
The IUPAC name of 2-propoxy-6-pyridin-3-yloxyaniline (CID 113393434) is 2-propoxy-6-pyridin-3-yloxyaniline.
What is the SMILES notation for 2-propoxy-6-pyridin-3-yloxyaniline?
The canonical SMILES for 2-propoxy-6-pyridin-3-yloxyaniline is CCCOc1cccc(Oc2cccnc2)c1N.
What is the InChIKey of 2-propoxy-6-pyridin-3-yloxyaniline?
The InChIKey is BWERQCKNHNCRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-9-17-12-6-3-7-13(14(12)15)18-11-5-4-8-16-10-11/h3-8,10H,2,9,15H2,1H3.
What are the key properties of 2-propoxy-6-pyridin-3-yloxyaniline?
2-propoxy-6-pyridin-3-yloxyaniline has a molecular weight of 244.29 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-6-pyridin-3-yloxyaniline is sourced from PubChem (CID 113393434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).