[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine

C17H22N2O — CID 82453076

IUPAC[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
SMILESCc1nc(-c2cccc(OCC(C)C)c2)ccc1CN
InChIInChI=1S/C17H22N2O/c1-12(2)11-20-16-6-4-5-14(9-16)17-8-7-15(10-18)13(3)19-17/h4-9,12H,10-11,18H2,1-3H3
InChIKeyQXAYYNKPWMOXKZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.55
Rot. Bonds5

About [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine

[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine (PubChem CID 82453076) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
PubChem CID82453076
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
SMILESCc1nc(-c2cccc(OCC(C)C)c2)ccc1CN
InChIInChI=1S/C17H22N2O/c1-12(2)11-20-16-6-4-5-14(9-16)17-8-7-15(10-18)13(3)19-17/h4-9,12H,10-11,18H2,1-3H3
InChIKeyQXAYYNKPWMOXKZ-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 82161283
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
[6-(3-butoxyphenyl)-2-methyl-3-pyridinyl]methanethiol
CID 82453094
[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
CID 82453206
N-[[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82452965
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
CID 74242452
4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 141188121
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
CID 842809
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
CID 82453060
3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852082

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine?
The IUPAC name of [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine (CID 82453076) is [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine is Cc1nc(-c2cccc(OCC(C)C)c2)ccc1CN.
What is the InChIKey of [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine?
The InChIKey is QXAYYNKPWMOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)11-20-16-6-4-5-14(9-16)17-8-7-15(10-18)13(3)19-17/h4-9,12H,10-11,18H2,1-3H3.
What are the key properties of [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine?
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 82453076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).