1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol

C15H25NO2 — CID 104930543

IUPAC1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
SMILESCOc1ccccc1[C@@H](C)NCC(C)(O)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)15(4,17)10-16-12(3)13-8-6-7-9-14(13)18-5/h6-9,11-12,16-17H,10H2,1-5H3/t12-,15?/m1/s1
InChIKeyUTJOOUYAQURNQQ-KEKZHRQWSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds6

About 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol

1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 104930543) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
PubChem CID104930543
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
SMILESCOc1ccccc1[C@@H](C)NCC(C)(O)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)15(4,17)10-16-12(3)13-8-6-7-9-14(13)18-5/h6-9,11-12,16-17H,10H2,1-5H3/t12-,15?/m1/s1
InChIKeyUTJOOUYAQURNQQ-KEKZHRQWSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 104930531
methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644838
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]-2-methylsulfanylbutan-1-amine
CID 103787189
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81397361
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
3,3,3-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81397407

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol (CID 104930543) is 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol is COc1ccccc1[C@@H](C)NCC(C)(O)C(C)C.
What is the InChIKey of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is UTJOOUYAQURNQQ-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)15(4,17)10-16-12(3)13-8-6-7-9-14(13)18-5/h6-9,11-12,16-17H,10H2,1-5H3/t12-,15?/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol?
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 104930543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).