(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine

C15H22N2O — CID 106314700

IUPAC(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
SMILESCOc1cccc(N2CCC=C(C)C2)c1[C@@H](C)N
InChIInChI=1S/C15H22N2O/c1-11-6-5-9-17(10-11)13-7-4-8-14(18-3)15(13)12(2)16/h4,6-8,12H,5,9-10,16H2,1-3H3/t12-/m1/s1
InChIKeyNLJOPBVVSGNFFH-GFCCVEGCSA-N
MW246.35 g/mol
LogP2.87
Rot. Bonds3

About (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine

(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine (PubChem CID 106314700) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
PubChem CID106314700
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
SMILESCOc1cccc(N2CCC=C(C)C2)c1[C@@H](C)N
InChIInChI=1S/C15H22N2O/c1-11-6-5-9-17(10-11)13-7-4-8-14(18-3)15(13)12(2)16/h4,6-8,12H,5,9-10,16H2,1-3H3/t12-/m1/s1
InChIKeyNLJOPBVVSGNFFH-GFCCVEGCSA-N
XLogP2.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
CID 106315535
(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
CID 113388930
1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 113388932
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanamine
CID 114460236
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104930333
[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781715
(1S)-1-[2-(2-ethylazepan-1-yl)-6-methoxyphenyl]ethanamine
CID 104690196
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanol
CID 104929030
4-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]-1-methyl-1,4-diazepan-2-one
CID 102889530
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930367
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine (CID 106314700) is (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine is COc1cccc(N2CCC=C(C)C2)c1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The InChIKey is NLJOPBVVSGNFFH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-5-9-17(10-11)13-7-4-8-14(18-3)15(13)12(2)16/h4,6-8,12H,5,9-10,16H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 106314700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).