(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol

C18H23NO2 — CID 9159184

IUPAC(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CN)cc1
InChIInChI=1S/C18H23NO2/c1-18(2,14-6-4-3-5-7-14)15-8-10-17(11-9-15)21-13-16(20)12-19/h3-11,16,20H,12-13,19H2,1-2H3/t16-/m0/s1
InChIKeyKWDXPGYZCKHQFV-INIZCTEOSA-N
MW285.39 g/mol
LogP2.71
Rot. Bonds6

About (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol

(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol (PubChem CID 9159184) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
PubChem CID9159184
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CN)cc1
InChIInChI=1S/C18H23NO2/c1-18(2,14-6-4-3-5-7-14)15-8-10-17(11-9-15)21-13-16(20)12-19/h3-11,16,20H,12-13,19H2,1-2H3/t16-/m0/s1
InChIKeyKWDXPGYZCKHQFV-INIZCTEOSA-N
XLogP2.71
TPSA55.48 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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-phenoxycarbonyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] phenyl carbonate
CID 139915038
1-methylsulfanyl-3-[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]propan-2-ol
CID 156534471
1-(aminomethylamino)-3-[4-[2-[4-[3-(aminomethylamino)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 58779484
(2S)-1-(hexylamino)-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 2089097
4-hydroxy-5-[4-[2-[4-(2-hydroxy-4-oxopentoxy)phenyl]propan-2-yl]phenoxy]pentan-2-one
CID 22981470
1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045
1-fluoro-3-[4-[2-[4-(2-hydroxy-3-phosphanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 143919875
(2R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 30734616
4-amino-1-(4-tert-butylphenoxy)butan-2-ol
CID 112500941

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol?
The IUPAC name of (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol (CID 9159184) is (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol is CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CN)cc1.
What is the InChIKey of (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol?
The InChIKey is KWDXPGYZCKHQFV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,14-6-4-3-5-7-14)15-8-10-17(11-9-15)21-13-16(20)12-19/h3-11,16,20H,12-13,19H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol?
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 9159184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).