4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol

C16H27NO2 — CID 79361996

IUPAC4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
SMILESCOc1ccccc1CC(C)N(C)CCC(C)(C)O
InChIInChI=1S/C16H27NO2/c1-13(17(4)11-10-16(2,3)18)12-14-8-6-7-9-15(14)19-5/h6-9,13,18H,10-12H2,1-5H3
InChIKeyXTVYSSHBPKOUQI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.72
Rot. Bonds7

About 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol

4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol (PubChem CID 79361996) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
PubChem CID79361996
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
SMILESCOc1ccccc1CC(C)N(C)CCC(C)(C)O
InChIInChI=1S/C16H27NO2/c1-13(17(4)11-10-16(2,3)18)12-14-8-6-7-9-15(14)19-5/h6-9,13,18H,10-12H2,1-5H3
InChIKeyXTVYSSHBPKOUQI-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 65486907
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 77070449
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpentanamide
CID 65487447
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,2-dimethylpentane-1,2-diamine
CID 65484874
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol (CID 79361996) is 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol is COc1ccccc1CC(C)N(C)CCC(C)(C)O.
What is the InChIKey of 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol?
The InChIKey is XTVYSSHBPKOUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(17(4)11-10-16(2,3)18)12-14-8-6-7-9-15(14)19-5/h6-9,13,18H,10-12H2,1-5H3.
What are the key properties of 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol?
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79361996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).