3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol

C14H23NO2 — CID 81397361

IUPAC3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
SMILESCOc1ccccc1[C@H](C)NC(C)C(C)(C)O
InChIInChI=1S/C14H23NO2/c1-10(15-11(2)14(3,4)16)12-8-6-7-9-13(12)17-5/h6-11,15-16H,1-5H3/t10-,11?/m0/s1
InChIKeySTRVPHIQZIESNH-VUWPPUDQSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds5

About 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol

3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol (PubChem CID 81397361) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
PubChem CID81397361
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
SMILESCOc1ccccc1[C@H](C)NC(C)C(C)(C)O
InChIInChI=1S/C14H23NO2/c1-10(15-11(2)14(3,4)16)12-8-6-7-9-13(12)17-5/h6-11,15-16H,1-5H3/t10-,11?/m0/s1
InChIKeySTRVPHIQZIESNH-VUWPPUDQSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
CID 104930543
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol (CID 81397361) is 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol is COc1ccccc1[C@H](C)NC(C)C(C)(C)O.
What is the InChIKey of 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol?
The InChIKey is STRVPHIQZIESNH-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(15-11(2)14(3,4)16)12-8-6-7-9-13(12)17-5/h6-11,15-16H,1-5H3/t10-,11?/m0/s1.
What are the key properties of 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol?
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 81397361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).