1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine

C18H24N2O — CID 62323119

IUPAC1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(C(C)(C)C)cc2C)nc1
InChIInChI=1S/C18H24N2O/c1-13-10-15(18(2,3)4)7-8-16(13)21-17-9-6-14(11-19-5)12-20-17/h6-10,12,19H,11H2,1-5H3
InChIKeyLXYFCKBKXRKAHI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.20
Rot. Bonds4

About 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine

1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62323119) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID62323119
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(C(C)(C)C)cc2C)nc1
InChIInChI=1S/C18H24N2O/c1-13-10-15(18(2,3)4)7-8-16(13)21-17-9-6-14(11-19-5)12-20-17/h6-10,12,19H,11H2,1-5H3
InChIKeyLXYFCKBKXRKAHI-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
1-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62295879
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
1-[6-(4-ethyl-2-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107666919
1-[3-(4-tert-butyl-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 63942716
N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633522
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
N-methyl-1-(6-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 62322740
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
5-(bromomethyl)-2-(4-tert-butyl-2-methylphenoxy)pyrimidine
CID 107087606
[2-[[5-(methylaminomethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 80633758

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine (CID 62323119) is 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(C(C)(C)C)cc2C)nc1.
What is the InChIKey of 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is LXYFCKBKXRKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-10-15(18(2,3)4)7-8-16(13)21-17-9-6-14(11-19-5)12-20-17/h6-10,12,19H,11H2,1-5H3.
What are the key properties of 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62323119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).