3-amino-2,2-dimethyl-3-phenylpropan-1-ol

C11H17NO — CID 10103748

IUPAC3-amino-2,2-dimethyl-3-phenylpropan-1-ol
SMILESCC(C)(CO)C(N)c1ccccc1
InChIInChI=1S/C11H17NO/c1-11(2,8-13)10(12)9-6-4-3-5-7-9/h3-7,10,13H,8,12H2,1-2H3
InChIKeyJROIRYAZVQTFDW-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-2,2-dimethyl-3-phenylpropan-1-ol

3-amino-2,2-dimethyl-3-phenylpropan-1-ol (PubChem CID 10103748) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-phenylpropan-1-ol
PubChem CID10103748
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-amino-2,2-dimethyl-3-phenylpropan-1-ol
SMILESCC(C)(CO)C(N)c1ccccc1
InChIInChI=1S/C11H17NO/c1-11(2,8-13)10(12)9-6-4-3-5-7-9/h3-7,10,13H,8,12H2,1-2H3
InChIKeyJROIRYAZVQTFDW-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-phenylpropan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-3-phenylpropan-1-ol (CID 10103748) is 3-amino-2,2-dimethyl-3-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-phenylpropan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-3-phenylpropan-1-ol is CC(C)(CO)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2,2-dimethyl-3-phenylpropan-1-ol?
The InChIKey is JROIRYAZVQTFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,8-13)10(12)9-6-4-3-5-7-9/h3-7,10,13H,8,12H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-3-phenylpropan-1-ol?
3-amino-2,2-dimethyl-3-phenylpropan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-phenylpropan-1-ol is sourced from PubChem (CID 10103748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).