5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine

C18H24N2O — CID 104536558

IUPAC5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-5-9-20-15-11-17(13-19-12-15)21-16-8-6-7-14(10-16)18(2,3)4/h6-8,10-13,20H,5,9H2,1-4H3
InChIKeyQPFNFEARUYEMJX-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.99
Rot. Bonds5

About 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine

5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine (PubChem CID 104536558) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
PubChem CID104536558
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-5-9-20-15-11-17(13-19-12-15)21-16-8-6-7-14(10-16)18(2,3)4/h6-8,10-13,20H,5,9H2,1-4H3
InChIKeyQPFNFEARUYEMJX-UHFFFAOYSA-N
XLogP4.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-tert-butylphenoxy)-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

N-propyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104536494
5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
CID 104536354
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
5-(2,3-dichlorophenoxy)-N-propylpyridin-3-amine
CID 104536489
N-ethyl-5-(3-iodophenoxy)pyridin-3-amine
CID 104536529
N-propyl-5-quinolin-5-yloxypyridin-3-amine
CID 103046193
2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
CID 104536574
5-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propylpyridin-3-amine
CID 104536945
5-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyridin-3-amine
CID 116806496
5-butoxy-N-propylpyridin-3-amine
CID 104536219
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
CID 107102609

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine?
The IUPAC name of 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine (CID 104536558) is 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine?
The canonical SMILES for 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine is CCCNc1cncc(Oc2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine?
The InChIKey is QPFNFEARUYEMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-9-20-15-11-17(13-19-12-15)21-16-8-6-7-14(10-16)18(2,3)4/h6-8,10-13,20H,5,9H2,1-4H3.
What are the key properties of 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine?
5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine has a molecular weight of 284.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine is sourced from PubChem (CID 104536558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).