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

C16H20N2O2 — CID 122574320

IUPAC(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine
SMILESCCOc1ncccc1O[C@H](CCN)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-19-16-15(9-6-12-18-16)20-14(10-11-17)13-7-4-3-5-8-13/h3-9,12,14H,2,10-11,17H2,1H3/t14-/m1/s1
InChIKeyQZMPNVMLPVFOLS-CQSZACIVSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds7

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

(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine (PubChem CID 122574320) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine
PubChem CID122574320
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine
SMILESCCOc1ncccc1O[C@H](CCN)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-19-16-15(9-6-12-18-16)20-14(10-11-17)13-7-4-3-5-8-13/h3-9,12,14H,2,10-11,17H2,1H3/t14-/m1/s1
InChIKeyQZMPNVMLPVFOLS-CQSZACIVSA-N
XLogP2.95
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine
CID 122581769
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
3-(4-ethylphenoxy)-3-phenylpropan-1-amine
CID 112501685
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
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
(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine
CID 14950285
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
3-butoxy-3-phenylpropan-1-amine
CID 114998461
(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55291895
2-ethoxy-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
CID 107875958
N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine
CID 20504988

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine (CID 122574320) is (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine is CCOc1ncccc1O[C@H](CCN)c1ccccc1.
What is the InChIKey of (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine?
The InChIKey is QZMPNVMLPVFOLS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-19-16-15(9-6-12-18-16)20-14(10-11-17)13-7-4-3-5-8-13/h3-9,12,14H,2,10-11,17H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine?
(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-3-phenylpropan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.95, 7 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]-3-phenylpropan-1-amine is sourced from PubChem (CID 122574320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).