(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine

C12H19NO2 — CID 163358815

IUPAC(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine
SMILESCOc1ccc([C@H](C)NOC(C)C)cc1
InChIInChI=1S/C12H19NO2/c1-9(2)15-13-10(3)11-5-7-12(14-4)8-6-11/h5-10,13H,1-4H3/t10-/m0/s1
InChIKeyQBJDINGUWARDHR-JTQLQIEISA-N
MW209.29 g/mol
LogP2.69
Rot. Bonds5

About (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine

(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine (PubChem CID 163358815) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine
PubChem CID163358815
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine
SMILESCOc1ccc([C@H](C)NOC(C)C)cc1
InChIInChI=1S/C12H19NO2/c1-9(2)15-13-10(3)11-5-7-12(14-4)8-6-11/h5-10,13H,1-4H3/t10-/m0/s1
InChIKeyQBJDINGUWARDHR-JTQLQIEISA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide
CID 131162335
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
CID 113260762
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine (CID 163358815) is (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine is COc1ccc([C@H](C)NOC(C)C)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine?
The InChIKey is QBJDINGUWARDHR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)15-13-10(3)11-5-7-12(14-4)8-6-11/h5-10,13H,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine?
(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine is sourced from PubChem (CID 163358815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).