5-(3-phenylpropoxy)-N-propylpyridin-3-amine

C17H22N2O — CID 104536691

IUPAC5-(3-phenylpropoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(OCCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-2-10-19-16-12-17(14-18-13-16)20-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,12-14,19H,2,6,9-11H2,1H3
InChIKeyNSSWRHHWUUPUOI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.92
Rot. Bonds8

About 5-(3-phenylpropoxy)-N-propylpyridin-3-amine

5-(3-phenylpropoxy)-N-propylpyridin-3-amine (PubChem CID 104536691) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(3-phenylpropoxy)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-(3-phenylpropoxy)-N-propylpyridin-3-amine
PubChem CID104536691
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-(3-phenylpropoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(OCCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-2-10-19-16-12-17(14-18-13-16)20-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,12-14,19H,2,6,9-11H2,1H3
InChIKeyNSSWRHHWUUPUOI-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-phenylpropoxy)-N-propylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butoxy-N-propylpyridin-3-amine
CID 104536219
ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane
CID 145472833
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114
5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine
CID 104568332
5-(2-cyclopropylethoxy)-N-propylpyridin-3-amine
CID 106207485
5-[2-[cyclopropyl(methyl)amino]ethoxy]-N-propylpyridin-3-amine
CID 102741340
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
CID 113423751
3-hexoxy-N-(3-phenylpropyl)aniline
CID 54800266
3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
CID 104533858
N-ethyl-5-octoxypyridin-3-amine
CID 113424296
5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104531987
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropoxy)-N-propylpyridin-3-amine?
The IUPAC name of 5-(3-phenylpropoxy)-N-propylpyridin-3-amine (CID 104536691) is 5-(3-phenylpropoxy)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-(3-phenylpropoxy)-N-propylpyridin-3-amine?
The canonical SMILES for 5-(3-phenylpropoxy)-N-propylpyridin-3-amine is CCCNc1cncc(OCCCc2ccccc2)c1.
What is the InChIKey of 5-(3-phenylpropoxy)-N-propylpyridin-3-amine?
The InChIKey is NSSWRHHWUUPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-10-19-16-12-17(14-18-13-16)20-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,12-14,19H,2,6,9-11H2,1H3.
What are the key properties of 5-(3-phenylpropoxy)-N-propylpyridin-3-amine?
5-(3-phenylpropoxy)-N-propylpyridin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropoxy)-N-propylpyridin-3-amine is sourced from PubChem (CID 104536691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).