3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine

C14H14Cl2N2O — CID 102760880

IUPAC3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine
SMILESNc1nc(OCCCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-11-9-12(16)14(18-13(11)17)19-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,17,18)
InChIKeyAVHOJDDGTAWFDI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.98
Rot. Bonds5

About 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine

3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine (PubChem CID 102760880) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine
PubChem CID102760880
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine
SMILESNc1nc(OCCCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-11-9-12(16)14(18-13(11)17)19-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,17,18)
InChIKeyAVHOJDDGTAWFDI-UHFFFAOYSA-N
XLogP3.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-enoxy-3,5-dichloropyridin-2-amine
CID 102760392
2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate
CID 54333779
3,5-dichloro-6-prop-2-ynoxypyridin-2-amine
CID 102760352
5-fluoro-2-(3-phenylpropoxy)pyrimidin-4-amine
CID 59160610
3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
CID 82812776
[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine
CID 62684504
4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine
CID 80930333
4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine
CID 63734538
3-phenylpropyl 5-amino-2-chlorobenzoate
CID 61322590
2-(3-phenylpropoxy)naphthalene
CID 13432986
4-(bromomethyl)-2-chloro-1-(3-phenylpropoxy)benzene
CID 63535725
(3,5-dichloro-6-phenylmethoxy-2-pyridinyl)hydrazine
CID 102762715

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine (CID 102760880) is 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine is Nc1nc(OCCCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine?
The InChIKey is AVHOJDDGTAWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-11-9-12(16)14(18-13(11)17)19-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,17,18).
What are the key properties of 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine?
3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine has a molecular weight of 297.19 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine is sourced from PubChem (CID 102760880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).