(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol

C18H23NO2 — CID 118706367

IUPAC(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
SMILESCOc1ccc([C@H](C)N[C@H](C)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-13(15-9-11-17(21-3)12-10-15)19-14(2)18(20)16-7-5-4-6-8-16/h4-14,18-20H,1-3H3/t13-,14+,18+/m0/s1
InChIKeyYCKUQYRXQBLLAM-PMUMKWKESA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds6

About (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol

(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol (PubChem CID 118706367) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
PubChem CID118706367
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
SMILESCOc1ccc([C@H](C)N[C@H](C)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-13(15-9-11-17(21-3)12-10-15)19-14(2)18(20)16-7-5-4-6-8-16/h4-14,18-20H,1-3H3/t13-,14+,18+/m0/s1
InChIKeyYCKUQYRXQBLLAM-PMUMKWKESA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 10709738
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
CID 113260762
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol (CID 118706367) is (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol is COc1ccc([C@H](C)N[C@H](C)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol?
The InChIKey is YCKUQYRXQBLLAM-PMUMKWKESA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(15-9-11-17(21-3)12-10-15)19-14(2)18(20)16-7-5-4-6-8-16/h4-14,18-20H,1-3H3/t13-,14+,18+/m0/s1.
What are the key properties of (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol?
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 118706367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).