(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine

C18H24N2O2 — CID 122581769

IUPAC(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine
SMILESCCNCC[C@@H](Oc1cccnc1OCC)c1ccccc1
InChIInChI=1S/C18H24N2O2/c1-3-19-14-12-16(15-9-6-5-7-10-15)22-17-11-8-13-20-18(17)21-4-2/h5-11,13,16,19H,3-4,12,14H2,1-2H3/t16-/m1/s1
InChIKeyFDUKXVZUSDZNAD-MRXNPFEDSA-N
MW300.40 g/mol
LogP3.60
Rot. Bonds9

About (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine

(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine (PubChem CID 122581769) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine
PubChem CID122581769
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine
SMILESCCNCC[C@@H](Oc1cccnc1OCC)c1ccccc1
InChIInChI=1S/C18H24N2O2/c1-3-19-14-12-16(15-9-6-5-7-10-15)22-17-11-8-13-20-18(17)21-4-2/h5-11,13,16,19H,3-4,12,14H2,1-2H3/t16-/m1/s1
InChIKeyFDUKXVZUSDZNAD-MRXNPFEDSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine
CID 122574320
2-ethoxy-3-(1-phenylbutoxy)pyridine;3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine;3-[(2-ethoxy-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine;N-ethyl-3-[(2-methoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine;3-[(2-ethyl-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine;2-[[3-[3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol;N-methyl-3-phenyl-3-[(2-propyl-3-pyridinyl)oxy]propan-1-amine
CID 161016863
3-(2-bromophenoxy)-N-ethyl-3-phenylpropan-1-amine;formic acid
CID 67845393
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
CID 135178793
N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine
CID 138738145
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine
CID 19025855
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
2-ethoxy-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
CID 107875958
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine (CID 122581769) is (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine is CCNCC[C@@H](Oc1cccnc1OCC)c1ccccc1.
What is the InChIKey of (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is FDUKXVZUSDZNAD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-19-14-12-16(15-9-6-5-7-10-15)22-17-11-8-13-20-18(17)21-4-2/h5-11,13,16,19H,3-4,12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine?
(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 122581769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).