3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol

C15H25NO3 — CID 103785533

IUPAC3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
SMILESCCOc1ccccc1C(C)NC(CCO)COC
InChIInChI=1S/C15H25NO3/c1-4-19-15-8-6-5-7-14(15)12(2)16-13(9-10-17)11-18-3/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyOQTMFXUEXWOURH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds9

About 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol

3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol (PubChem CID 103785533) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
PubChem CID103785533
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
SMILESCCOc1ccccc1C(C)NC(CCO)COC
InChIInChI=1S/C15H25NO3/c1-4-19-15-8-6-5-7-14(15)12(2)16-13(9-10-17)11-18-3/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyOQTMFXUEXWOURH-UHFFFAOYSA-N
XLogP2.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786537
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390524
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 104582639
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
(E)-3-(2-ethoxyphenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103851116
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624872

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol (CID 103785533) is 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol is CCOc1ccccc1C(C)NC(CCO)COC.
What is the InChIKey of 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol?
The InChIKey is OQTMFXUEXWOURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-19-15-8-6-5-7-14(15)12(2)16-13(9-10-17)11-18-3/h5-8,12-13,16-17H,4,9-11H2,1-3H3.
What are the key properties of 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol?
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 103785533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).