1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol

C18H23NO2 — CID 64814427

IUPAC1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)(CN)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14(2)16-10-6-7-11-17(16)21-13-18(20,12-19)15-8-4-3-5-9-15/h3-11,14,20H,12-13,19H2,1-2H3
InChIKeyXKHDENZKDCOTAH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.04
Rot. Bonds6

About 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol

1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 64814427) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID64814427
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)(CN)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14(2)16-10-6-7-11-17(16)21-13-18(20,12-19)15-8-4-3-5-9-15/h3-11,14,20H,12-13,19H2,1-2H3
InChIKeyXKHDENZKDCOTAH-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78931763
2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
CID 20986649
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
1-(3-bromo-2,2-dimethylpropoxy)-2-propan-2-ylbenzene
CID 64995447
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-[2-(1-hydroxypropyl)phenoxy]-2-phenylpropan-2-ol
CID 62374016
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116
1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene
CID 19352226
1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
CID 64812936
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 64814427) is 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol is CC(C)c1ccccc1OCC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is XKHDENZKDCOTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)16-10-6-7-11-17(16)21-13-18(20,12-19)15-8-4-3-5-9-15/h3-11,14,20H,12-13,19H2,1-2H3.
What are the key properties of 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol?
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 64814427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).