(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol

C27H33NO3 — CID 70633857

IUPAC(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1ccccc1C(O)(c1ccccc1OC(C)C)[C@H](N)Cc1ccccc1
InChIInChI=1S/C27H33NO3/c1-19(2)30-24-16-10-8-14-22(24)27(29,26(28)18-21-12-6-5-7-13-21)23-15-9-11-17-25(23)31-20(3)4/h5-17,19-20,26,29H,18,28H2,1-4H3/t26-/m1/s1
InChIKeyMEIPMJJALWYGJA-AREMUKBSSA-N
MW419.57 g/mol
LogP5.07
Rot. Bonds9

About (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol

(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 70633857) has the molecular formula C27H33NO3 and a molecular weight of 419.57 g/mol. Its IUPAC name is (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
PubChem CID70633857
Molecular FormulaC27H33NO3
Molecular Weight419.57 g/mol
Exact Mass419.25
IUPAC Name(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1ccccc1C(O)(c1ccccc1OC(C)C)[C@H](N)Cc1ccccc1
InChIInChI=1S/C27H33NO3/c1-19(2)30-24-16-10-8-14-22(24)27(29,26(28)18-21-12-6-5-7-13-21)23-15-9-11-17-25(23)31-20(3)4/h5-17,19-20,26,29H,18,28H2,1-4H3/t26-/m1/s1
InChIKeyMEIPMJJALWYGJA-AREMUKBSSA-N
XLogP5.07
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
CID 13210134
2,6-dimethyl-4-(2-propan-2-yloxyphenyl)heptan-4-ol
CID 114865145
(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 101072833
(2R)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 22084869
2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
CID 10999932
[2-phenyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105195296
2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine
CID 112566082
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol
CID 156764380
1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol
CID 113490178
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol (CID 70633857) is (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol is CC(C)Oc1ccccc1C(O)(c1ccccc1OC(C)C)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is MEIPMJJALWYGJA-AREMUKBSSA-N. The full InChI is InChI=1S/C27H33NO3/c1-19(2)30-24-16-10-8-14-22(24)27(29,26(28)18-21-12-6-5-7-13-21)23-15-9-11-17-25(23)31-20(3)4/h5-17,19-20,26,29H,18,28H2,1-4H3/t26-/m1/s1.
What are the key properties of (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol?
(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 419.57 g/mol, XLogP of 5.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 70633857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).