1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol

C14H23NO4 — CID 55146071

IUPAC1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
SMILESCOCCNCc1ccc(OC)cc1OCC(C)O
InChIInChI=1S/C14H23NO4/c1-11(16)10-19-14-8-13(18-3)5-4-12(14)9-15-6-7-17-2/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3
InChIKeyGIMBAYKECGJORX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.19
Rot. Bonds9

About 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol

1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol (PubChem CID 55146071) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
PubChem CID55146071
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
SMILESCOCCNCc1ccc(OC)cc1OCC(C)O
InChIInChI=1S/C14H23NO4/c1-11(16)10-19-14-8-13(18-3)5-4-12(14)9-15-6-7-17-2/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3
InChIKeyGIMBAYKECGJORX-UHFFFAOYSA-N
XLogP1.19
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
2-methoxy-N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 63063528
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
N-[[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63059033
2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63060100
5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63058679
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol
CID 63063515

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol (CID 55146071) is 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol is COCCNCc1ccc(OC)cc1OCC(C)O.
What is the InChIKey of 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol?
The InChIKey is GIMBAYKECGJORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-11(16)10-19-14-8-13(18-3)5-4-12(14)9-15-6-7-17-2/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol?
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 55146071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).