3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine

C15H17ClN2O2 — CID 82055961

IUPAC3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine
SMILESNc1ncccc1OCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c16-12-5-7-13(8-6-12)19-10-1-2-11-20-14-4-3-9-18-15(14)17/h3-9H,1-2,10-11H2,(H2,17,18)
InChIKeyAJFPTORBLADMDR-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.56
Rot. Bonds7

About 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine

3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine (PubChem CID 82055961) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine
PubChem CID82055961
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine
SMILESNc1ncccc1OCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c16-12-5-7-13(8-6-12)19-10-1-2-11-20-14-4-3-9-18-15(14)17/h3-9H,1-2,10-11H2,(H2,17,18)
InChIKeyAJFPTORBLADMDR-UHFFFAOYSA-N
XLogP3.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-amino-3-pyridinyl)oxy]pentan-1-ol
CID 62229508
2-[4-(4-chlorophenoxy)butylsulfanyl]pyrimidine
CID 2183668
3-[3-(4-chlorophenoxy)propylsulfanyl]pyrazin-2-amine
CID 106678769
3-(3,3-dimethylbutoxy)pyridin-2-amine
CID 61481527
3-(2-ethoxyethoxy)pyridin-2-amine
CID 43457018
2-[2-(4-chlorophenoxy)ethylsulfanyl]pyrimidine
CID 2184843
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
CID 18796228
[3-(4-phenoxybutoxy)-2-pyridinyl]hydrazine
CID 82056411

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine?
The IUPAC name of 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine (CID 82055961) is 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine?
The canonical SMILES for 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine is Nc1ncccc1OCCCCOc1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine?
The InChIKey is AJFPTORBLADMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-5-7-13(8-6-12)19-10-1-2-11-20-14-4-3-9-18-15(14)17/h3-9H,1-2,10-11H2,(H2,17,18).
What are the key properties of 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine?
3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine is sourced from PubChem (CID 82055961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).