N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine

C16H20N2O — CID 55058692

IUPACN-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
SMILESCNCc1ccc(Oc2cccc(C(C)C)c2)nc1
InChIInChI=1S/C16H20N2O/c1-12(2)14-5-4-6-15(9-14)19-16-8-7-13(10-17-3)11-18-16/h4-9,11-12,17H,10H2,1-3H3
InChIKeyQFQCYZXDHGCCPK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.72
Rot. Bonds5

About N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine

N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine (PubChem CID 55058692) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
PubChem CID55058692
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
SMILESCNCc1ccc(Oc2cccc(C(C)C)c2)nc1
InChIInChI=1S/C16H20N2O/c1-12(2)14-5-4-6-15(9-14)19-16-8-7-13(10-17-3)11-18-16/h4-9,11-12,17H,10H2,1-3H3
InChIKeyQFQCYZXDHGCCPK-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058512
1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine
CID 80626959
N-methyl-1-[6-(3-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633675
N-methyl-1-[3-methyl-4-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63550870
N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62296745
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
5-(chloromethyl)-2-(3-propan-2-ylphenoxy)pyrimidine
CID 113387977
1-[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62298293
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
1-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62295879
N-methyl-6-(3-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863588
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine (CID 55058692) is N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine is CNCc1ccc(Oc2cccc(C(C)C)c2)nc1.
What is the InChIKey of N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is QFQCYZXDHGCCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)14-5-4-6-15(9-14)19-16-8-7-13(10-17-3)11-18-16/h4-9,11-12,17H,10H2,1-3H3.
What are the key properties of N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine?
N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 55058692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).