(1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine

C18H19NO2 — CID 63366781

IUPAC(1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
SMILESCOc1cc([C@@H](C)N)ccc1OCC#Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(19)16-10-11-17(18(13-16)20-2)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,12,19H2,1-2H3/t14-/m1/s1
InChIKeyGDPXJORAZCQUKI-CQSZACIVSA-N
MW281.35 g/mol
LogP3.15
Rot. Bonds4

About (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine

(1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine (PubChem CID 63366781) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
PubChem CID63366781
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name(1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
SMILESCOc1cc([C@@H](C)N)ccc1OCC#Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(19)16-10-11-17(18(13-16)20-2)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,12,19H2,1-2H3/t14-/m1/s1
InChIKeyGDPXJORAZCQUKI-CQSZACIVSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340342
4-(isocyanomethyl)-2-methoxy-1-(3-phenylprop-2-ynoxy)benzene
CID 22982884
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
3-[[4-(1-aminoethyl)-2-methoxyphenoxy]methyl]benzonitrile
CID 60878074
1-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62339209
(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 82002752
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
1-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 62379196
2-[[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]methyl]benzonitrile
CID 63366594

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine (CID 63366781) is (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine is COc1cc([C@@H](C)N)ccc1OCC#Cc1ccccc1.
What is the InChIKey of (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The InChIKey is GDPXJORAZCQUKI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(19)16-10-11-17(18(13-16)20-2)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,12,19H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
(1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine has a molecular weight of 281.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methoxy-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine is sourced from PubChem (CID 63366781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).