(2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine

C23H36N2O — CID 134292337

IUPAC(2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine
SMILESCCC1=C(OC)N(C)CC(CCCCC[C@@H](CNC)c2ccccc2)=C1
InChIInChI=1S/C23H36N2O/c1-5-20-16-19(18-25(3)23(20)26-4)12-8-6-11-15-22(17-24-2)21-13-9-7-10-14-21/h7,9-10,13-14,16,22,24H,5-6,8,11-12,15,17-18H2,1-4H3/t22-/m0/s1
InChIKeyLYCWMAWUQHSVLN-QFIPXVFZSA-N
MW356.55 g/mol
LogP5.08
Rot. Bonds11

About (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine

(2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine (PubChem CID 134292337) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine.

Molecular Properties

Compound Name(2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine
PubChem CID134292337
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name(2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine
SMILESCCC1=C(OC)N(C)CC(CCCCC[C@@H](CNC)c2ccccc2)=C1
InChIInChI=1S/C23H36N2O/c1-5-20-16-19(18-25(3)23(20)26-4)12-8-6-11-15-22(17-24-2)21-13-9-7-10-14-21/h7,9-10,13-14,16,22,24H,5-6,8,11-12,15,17-18H2,1-4H3/t22-/m0/s1
InChIKeyLYCWMAWUQHSVLN-QFIPXVFZSA-N
XLogP5.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine?
The IUPAC name of (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine (CID 134292337) is (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine.
What is the SMILES notation for (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine?
The canonical SMILES for (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine is CCC1=C(OC)N(C)CC(CCCCC[C@@H](CNC)c2ccccc2)=C1.
What is the InChIKey of (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine?
The InChIKey is LYCWMAWUQHSVLN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H36N2O/c1-5-20-16-19(18-25(3)23(20)26-4)12-8-6-11-15-22(17-24-2)21-13-9-7-10-14-21/h7,9-10,13-14,16,22,24H,5-6,8,11-12,15,17-18H2,1-4H3/t22-/m0/s1.
What are the key properties of (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine?
(2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine has a molecular weight of 356.55 g/mol, XLogP of 5.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine is sourced from PubChem (CID 134292337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).