N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine

C17H22N2O — CID 62463901

IUPACN-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCNc1cc(COc2ccc(C(C)C)c(C)c2)ccn1
InChIInChI=1S/C17H22N2O/c1-12(2)16-6-5-15(9-13(16)3)20-11-14-7-8-19-17(10-14)18-4/h5-10,12H,11H2,1-4H3,(H,18,19)
InChIKeyMQTKCVXXMPZOEI-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.13
Rot. Bonds5

About N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine

N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine (PubChem CID 62463901) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine
PubChem CID62463901
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCNc1cc(COc2ccc(C(C)C)c(C)c2)ccn1
InChIInChI=1S/C17H22N2O/c1-12(2)16-6-5-15(9-13(16)3)20-11-14-7-8-19-17(10-14)18-4/h5-10,12H,11H2,1-4H3,(H,18,19)
InChIKeyMQTKCVXXMPZOEI-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464065
N-methyl-6-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 79239350
4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 64601208
N-methyl-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80607941
4-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688342
N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine
CID 55075198
4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 83140667
[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454908
[4-[(3-propan-2-ylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465371
N-methyl-4-(propoxymethyl)pyridin-2-amine
CID 62466206
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725685

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine (CID 62463901) is N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine is CNc1cc(COc2ccc(C(C)C)c(C)c2)ccn1.
What is the InChIKey of N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The InChIKey is MQTKCVXXMPZOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)16-6-5-15(9-13(16)3)20-11-14-7-8-19-17(10-14)18-4/h5-10,12H,11H2,1-4H3,(H,18,19).
What are the key properties of N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine?
N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62463901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).