1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol

C15H25NO3 — CID 60880225

IUPAC1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
SMILESCCCNCc1cc(OC)ccc1OCC(C)(C)O
InChIInChI=1S/C15H25NO3/c1-5-8-16-10-12-9-13(18-4)6-7-14(12)19-11-15(2,3)17/h6-7,9,16-17H,5,8,10-11H2,1-4H3
InChIKeyCZETVGSDKHVZLY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

About 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol

1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol (PubChem CID 60880225) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
PubChem CID60880225
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
SMILESCCCNCc1cc(OC)ccc1OCC(C)(C)O
InChIInChI=1S/C15H25NO3/c1-5-8-16-10-12-9-13(18-4)6-7-14(12)19-11-15(2,3)17/h6-7,9,16-17H,5,8,10-11H2,1-4H3
InChIKeyCZETVGSDKHVZLY-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
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

N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
N-[[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115942152
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43309412
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
N-[(5-methoxy-2-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804351
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135
4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79360985
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol (CID 60880225) is 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol is CCCNCc1cc(OC)ccc1OCC(C)(C)O.
What is the InChIKey of 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The InChIKey is CZETVGSDKHVZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-8-16-10-12-9-13(18-4)6-7-14(12)19-11-15(2,3)17/h6-7,9,16-17H,5,8,10-11H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol?
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 60880225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).