2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol

C16H27NO3 — CID 82315876

IUPAC2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol
SMILESCCC(CO)NC(C)C(O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C16H27NO3/c1-6-13(9-18)17-12(4)16(19)15-10(2)7-14(20-5)8-11(15)3/h7-8,12-13,16-19H,6,9H2,1-5H3
InChIKeyDQLYQRYEGNBUJQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.09
Rot. Bonds7

About 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol

2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol (PubChem CID 82315876) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol
PubChem CID82315876
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol
SMILESCCC(CO)NC(C)C(O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C16H27NO3/c1-6-13(9-18)17-12(4)16(19)15-10(2)7-14(20-5)8-11(15)3/h7-8,12-13,16-19H,6,9H2,1-5H3
InChIKeyDQLYQRYEGNBUJQ-UHFFFAOYSA-N
XLogP2.09
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 82315867
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315890
2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol
CID 43207150
1-(4-methoxy-2,6-dimethylphenyl)butane-1,2,4-triol
CID 171872645
2-(ethylamino)-1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82315899
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)butan-2-yl]amino]acetic acid
CID 82315884
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
CID 28724744
(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84558290
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-4-methoxyphenol
CID 104980961
3-azido-1-(4-methoxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170826366
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol (CID 82315876) is 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol is CCC(CO)NC(C)C(O)c1c(C)cc(OC)cc1C.
What is the InChIKey of 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol?
The InChIKey is DQLYQRYEGNBUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-13(9-18)17-12(4)16(19)15-10(2)7-14(20-5)8-11(15)3/h7-8,12-13,16-19H,6,9H2,1-5H3.
What are the key properties of 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol?
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol is sourced from PubChem (CID 82315876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).