N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine

C23H26N2O — CID 58369621

IUPACN-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine
SMILESCCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C23H26N2O/c1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23/h4-8,10-17H,2-3,9,18-19H2,1H3
InChIKeyKBIHWTQDSMZWKZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.64
Rot. Bonds9

About N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine

N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine (PubChem CID 58369621) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine
PubChem CID58369621
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine
SMILESCCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C23H26N2O/c1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23/h4-8,10-17H,2-3,9,18-19H2,1H3
InChIKeyKBIHWTQDSMZWKZ-UHFFFAOYSA-N
XLogP5.64
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine (CID 58369621) is N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine is CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine?
The InChIKey is KBIHWTQDSMZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23/h4-8,10-17H,2-3,9,18-19H2,1H3.
What are the key properties of N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine?
N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine has a molecular weight of 346.47 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 58369621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).