5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine

C17H22N2O — CID 62193136

IUPAC5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine
SMILESCc1ccc(C(C)(C)C)c(OCc2ccc(N)nc2)c1
InChIInChI=1S/C17H22N2O/c1-12-5-7-14(17(2,3)4)15(9-12)20-11-13-6-8-16(18)19-10-13/h5-10H,11H2,1-4H3,(H2,18,19)
InChIKeyNJBDFXYWIUCUAX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.85
Rot. Bonds3

About 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine

5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine (PubChem CID 62193136) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine
PubChem CID62193136
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine
SMILESCc1ccc(C(C)(C)C)c(OCc2ccc(N)nc2)c1
InChIInChI=1S/C17H22N2O/c1-12-5-7-14(17(2,3)4)15(9-12)20-11-13-6-8-16(18)19-10-13/h5-10H,11H2,1-4H3,(H2,18,19)
InChIKeyNJBDFXYWIUCUAX-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-tert-butyl-5-methylphenoxy)methyl]aniline
CID 29012995
3-[(2-tert-butyl-5-methylphenoxy)methyl]-5-fluoroaniline
CID 115980181
[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62244490
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
5-[(2-methylphenoxy)methyl]pyridin-2-amine
CID 62195123
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
CID 22688671
1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene
CID 66222531
5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403787
1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 63316422
[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine
CID 115487166
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62246934

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine (CID 62193136) is 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine is Cc1ccc(C(C)(C)C)c(OCc2ccc(N)nc2)c1.
What is the InChIKey of 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine?
The InChIKey is NJBDFXYWIUCUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-5-7-14(17(2,3)4)15(9-12)20-11-13-6-8-16(18)19-10-13/h5-10H,11H2,1-4H3,(H2,18,19).
What are the key properties of 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine?
5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62193136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).