1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol

C18H23NO2 — CID 159072005

IUPAC1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
SMILESOC[C@@H](NCC(O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c20-14-18(16-9-5-2-6-10-16)19-13-17(21)12-11-15-7-3-1-4-8-15/h1-10,17-21H,11-14H2/t17?,18-/m1/s1
InChIKeyJZTRGTVEUCKINV-QRWMCTBCSA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds8

About 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol

1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol (PubChem CID 159072005) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
PubChem CID159072005
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
SMILESOC[C@@H](NCC(O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c20-14-18(16-9-5-2-6-10-16)19-13-17(21)12-11-15-7-3-1-4-8-15/h1-10,17-21H,11-14H2/t17?,18-/m1/s1
InChIKeyJZTRGTVEUCKINV-QRWMCTBCSA-N
XLogP2.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-hydroxy-1-phenylethyl)-5-phenylpentanamide
CID 129208132
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(2R)-1-[[(1S)-2-hydroxy-1-phenylethyl]amino]heptan-2-ol;methyl formate
CID 153393632
1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989914
3-(1-phenylhexylamino)propane-1,2-diol
CID 66176548
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol
CID 23467801
(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5-phenylpentanamide
CID 90025591
(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
CID 24741569
4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid
CID 167797466

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol?
The IUPAC name of 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol (CID 159072005) is 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol.
What is the SMILES notation for 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol?
The canonical SMILES for 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol is OC[C@@H](NCC(O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol?
The InChIKey is JZTRGTVEUCKINV-QRWMCTBCSA-N. The full InChI is InChI=1S/C18H23NO2/c20-14-18(16-9-5-2-6-10-16)19-13-17(21)12-11-15-7-3-1-4-8-15/h1-10,17-21H,11-14H2/t17?,18-/m1/s1.
What are the key properties of 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol?
1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol is sourced from PubChem (CID 159072005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).