1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine

C17H22N2O — CID 62324004

IUPAC1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-6-5-7-15(11-14)20-16-10-13(12-18-4)8-9-19-16/h5-11,18H,12H2,1-4H3
InChIKeyIFUVIDDJLMPFAV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.89
Rot. Bonds4

About 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine

1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 62324004) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID62324004
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C17H22N2O/c1-17(2,3)14-6-5-7-15(11-14)20-16-10-13(12-18-4)8-9-19-16/h5-11,18H,12H2,1-4H3
InChIKeyIFUVIDDJLMPFAV-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine (CID 62324004) is 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(Oc2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is IFUVIDDJLMPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2,3)14-6-5-7-15(11-14)20-16-10-13(12-18-4)8-9-19-16/h5-11,18H,12H2,1-4H3.
What are the key properties of 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62324004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).