4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol

C13H21NO2 — CID 81371223

IUPAC4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
SMILESCOc1ccc([C@@H](C)NCCCCO)cc1
InChIInChI=1S/C13H21NO2/c1-11(14-9-3-4-10-15)12-5-7-13(16-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyWQCXCKRJMMYXGS-LLVKDONJSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds7

About 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol

4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol (PubChem CID 81371223) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
PubChem CID81371223
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
SMILESCOc1ccc([C@@H](C)NCCCCO)cc1
InChIInChI=1S/C13H21NO2/c1-11(14-9-3-4-10-15)12-5-7-13(16-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyWQCXCKRJMMYXGS-LLVKDONJSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
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

3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
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
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 81370452
5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
3-ethylsulfanyl-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115900079

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol?
The IUPAC name of 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol (CID 81371223) is 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol?
The canonical SMILES for 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol is COc1ccc([C@@H](C)NCCCCO)cc1.
What is the InChIKey of 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol?
The InChIKey is WQCXCKRJMMYXGS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(14-9-3-4-10-15)12-5-7-13(16-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol?
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 81371223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).