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

C18H23NO2 — CID 81389941

IUPAC1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
SMILESCOc1ccccc1[C@H](C)NCC(C)(O)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14(16-11-7-8-12-17(16)21-3)19-13-18(2,20)15-9-5-4-6-10-15/h4-12,14,19-20H,13H2,1-3H3/t14-,18?/m0/s1
InChIKeyOJNZHXLNQDJREQ-PIVQAISJSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds6

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

1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol (PubChem CID 81389941) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
PubChem CID81389941
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
SMILESCOc1ccccc1[C@H](C)NCC(C)(O)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14(16-11-7-8-12-17(16)21-3)19-13-18(2,20)15-9-5-4-6-10-15/h4-12,14,19-20H,13H2,1-3H3/t14-,18?/m0/s1
InChIKeyOJNZHXLNQDJREQ-PIVQAISJSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
CID 104930543
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644838
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62373504
2-amino-N-[1-(2-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 120586910
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

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol (CID 81389941) is 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol is COc1ccccc1[C@H](C)NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol?
The InChIKey is OJNZHXLNQDJREQ-PIVQAISJSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(16-11-7-8-12-17(16)21-3)19-13-18(2,20)15-9-5-4-6-10-15/h4-12,14,19-20H,13H2,1-3H3/t14-,18?/m0/s1.
What are the key properties of 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol?
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 81389941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).