1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol

C15H23NO3 — CID 54849084

IUPAC1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
SMILESC=C(C)COc1ccc(CNCC(C)O)cc1OC
InChIInChI=1S/C15H23NO3/c1-11(2)10-19-14-6-5-13(7-15(14)18-4)9-16-8-12(3)17/h5-7,12,16-17H,1,8-10H2,2-4H3
InChIKeyKOKRQLVJDPSDOX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.12
Rot. Bonds8

About 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol

1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol (PubChem CID 54849084) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
PubChem CID54849084
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
SMILESC=C(C)COc1ccc(CNCC(C)O)cc1OC
InChIInChI=1S/C15H23NO3/c1-11(2)10-19-14-6-5-13(7-15(14)18-4)9-16-8-12(3)17/h5-7,12,16-17H,1,8-10H2,2-4H3
InChIKeyKOKRQLVJDPSDOX-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847984
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
1-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol;oxalic acid
CID 45074838
1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849083
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
CID 83323480
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
N-[[3-bromo-4-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63062009
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180
N-tert-butyl-2-[4-[[2-(2-hydroxypropylamino)ethylamino]methyl]-2-methoxyphenoxy]acetamide;dihydrochloride
CID 17295544
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 43503877

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol?
The IUPAC name of 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol (CID 54849084) is 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol is C=C(C)COc1ccc(CNCC(C)O)cc1OC.
What is the InChIKey of 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol?
The InChIKey is KOKRQLVJDPSDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)10-19-14-6-5-13(7-15(14)18-4)9-16-8-12(3)17/h5-7,12,16-17H,1,8-10H2,2-4H3.
What are the key properties of 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol?
1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 54849084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).