5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol

C17H29NO3 — CID 103905531

IUPAC5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
SMILESCOCc1cc(C(C)NCCCC(C)CO)ccc1OC
InChIInChI=1S/C17H29NO3/c1-13(11-19)6-5-9-18-14(2)15-7-8-17(21-4)16(10-15)12-20-3/h7-8,10,13-14,18-19H,5-6,9,11-12H2,1-4H3
InChIKeyBUQNBGLWAPUCAD-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.90
Rot. Bonds10

About 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol

5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol (PubChem CID 103905531) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
PubChem CID103905531
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
SMILESCOCc1cc(C(C)NCCCC(C)CO)ccc1OC
InChIInChI=1S/C17H29NO3/c1-13(11-19)6-5-9-18-14(2)15-7-8-17(21-4)16(10-15)12-20-3/h7-8,10,13-14,18-19H,5-6,9,11-12H2,1-4H3
InChIKeyBUQNBGLWAPUCAD-UHFFFAOYSA-N
XLogP2.90
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfonylpropan-1-amine
CID 61020425
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfinylpropan-1-amine
CID 115721031
2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
CID 106235133
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
N-[2-(furan-2-yl)ethyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43515337
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103911495
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 60999677

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol (CID 103905531) is 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol is COCc1cc(C(C)NCCCC(C)CO)ccc1OC.
What is the InChIKey of 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol?
The InChIKey is BUQNBGLWAPUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(11-19)6-5-9-18-14(2)15-7-8-17(21-4)16(10-15)12-20-3/h7-8,10,13-14,18-19H,5-6,9,11-12H2,1-4H3.
What are the key properties of 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol?
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 103905531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).