1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol

C18H23NO2 — CID 64813156

IUPAC1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
SMILESCC(CC(C)(O)CN)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14(12-18(2,20)13-19)21-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14,20H,12-13,19H2,1-2H3
InChIKeyWAHAZEJFTXUJOX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.22
Rot. Bonds6

About 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol

1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol (PubChem CID 64813156) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
PubChem CID64813156
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
SMILESCC(CC(C)(O)CN)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14(12-18(2,20)13-19)21-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14,20H,12-13,19H2,1-2H3
InChIKeyWAHAZEJFTXUJOX-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol (CID 64813156) is 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol is CC(CC(C)(O)CN)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol?
The InChIKey is WAHAZEJFTXUJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(12-18(2,20)13-19)21-17-11-7-6-10-16(17)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-methyl-4-(2-phenylphenoxy)pentan-2-ol?
1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol is sourced from PubChem (CID 64813156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).