N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine

C16H20N2O — CID 104659848

IUPACN-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
SMILESCCCOc1ccccc1C(NC)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-3-12-19-15-10-5-4-8-13(15)16(17-2)14-9-6-7-11-18-14/h4-11,16-17H,3,12H2,1-2H3
InChIKeyXRQUQLHTWYLHDA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds6

About N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine

N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine (PubChem CID 104659848) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
PubChem CID104659848
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
SMILESCCCOc1ccccc1C(NC)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-3-12-19-15-10-5-4-8-13(15)16(17-2)14-9-6-7-11-18-14/h4-11,16-17H,3,12H2,1-2H3
InChIKeyXRQUQLHTWYLHDA-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 55120655
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660704
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 103374186
[(2-ethoxyphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195729
1-(2-ethoxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
CID 63987696
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446
1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
1-(2-fluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62500784
1-(2,4-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660094
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 107946713

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine (CID 104659848) is N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine is CCCOc1ccccc1C(NC)c1ccccn1.
What is the InChIKey of N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine?
The InChIKey is XRQUQLHTWYLHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-12-19-15-10-5-4-8-13(15)16(17-2)14-9-6-7-11-18-14/h4-11,16-17H,3,12H2,1-2H3.
What are the key properties of N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine?
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 104659848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).