3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol

C12H19NO2 — CID 43206530

IUPAC3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
SMILESCOc1ccc(C(C)NCCCO)cc1
InChIInChI=1S/C12H19NO2/c1-10(13-8-3-9-14)11-4-6-12(15-2)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyVZESAKLJMKKWJQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds6

About 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol

3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol (PubChem CID 43206530) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
PubChem CID43206530
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
SMILESCOc1ccc(C(C)NCCCO)cc1
InChIInChI=1S/C12H19NO2/c1-10(13-8-3-9-14)11-4-6-12(15-2)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3
InChIKeyVZESAKLJMKKWJQ-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 81370452
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
3-ethylsulfanyl-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115900079
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol?
The IUPAC name of 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol (CID 43206530) is 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol is COc1ccc(C(C)NCCCO)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol?
The InChIKey is VZESAKLJMKKWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(13-8-3-9-14)11-4-6-12(15-2)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3.
What are the key properties of 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol?
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 43206530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).