1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol

C15H25NO3 — CID 110932531

IUPAC1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
SMILESCCCOc1ccc(CNCC(C)(C)O)cc1OC
InChIInChI=1S/C15H25NO3/c1-5-8-19-13-7-6-12(9-14(13)18-4)10-16-11-15(2,3)17/h6-7,9,16-17H,5,8,10-11H2,1-4H3
InChIKeyLRSWTVBSHXKAHY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

About 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol

1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 110932531) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
PubChem CID110932531
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
SMILESCCCOc1ccc(CNCC(C)(C)O)cc1OC
InChIInChI=1S/C15H25NO3/c1-5-8-19-13-7-6-12(9-14(13)18-4)10-16-11-15(2,3)17/h6-7,9,16-17H,5,8,10-11H2,1-4H3
InChIKeyLRSWTVBSHXKAHY-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

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Related Compounds

2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
1-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 63934145
4-[2-methoxy-5-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361822
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
1-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 119128562
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol (CID 110932531) is 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol is CCCOc1ccc(CNCC(C)(C)O)cc1OC.
What is the InChIKey of 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is LRSWTVBSHXKAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-8-19-13-7-6-12(9-14(13)18-4)10-16-11-15(2,3)17/h6-7,9,16-17H,5,8,10-11H2,1-4H3.
What are the key properties of 1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol?
1-[(3-methoxy-4-propoxyphenyl)methylamino]-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-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 110932531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).