4-amino-2,2-dimethyl-3-phenylbutan-1-ol

C12H19NO — CID 71756865

IUPAC4-amino-2,2-dimethyl-3-phenylbutan-1-ol
SMILESCC(C)(CO)C(CN)c1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,9-14)11(8-13)10-6-4-3-5-7-10/h3-7,11,14H,8-9,13H2,1-2H3
InChIKeyQGAUISZPZZWZBD-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.75
Rot. Bonds4

About 4-amino-2,2-dimethyl-3-phenylbutan-1-ol

4-amino-2,2-dimethyl-3-phenylbutan-1-ol (PubChem CID 71756865) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-3-phenylbutan-1-ol.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-3-phenylbutan-1-ol
PubChem CID71756865
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-amino-2,2-dimethyl-3-phenylbutan-1-ol
SMILESCC(C)(CO)C(CN)c1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,9-14)11(8-13)10-6-4-3-5-7-10/h3-7,11,14H,8-9,13H2,1-2H3
InChIKeyQGAUISZPZZWZBD-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-3-phenylbutan-1-ol?
The IUPAC name of 4-amino-2,2-dimethyl-3-phenylbutan-1-ol (CID 71756865) is 4-amino-2,2-dimethyl-3-phenylbutan-1-ol.
What is the SMILES notation for 4-amino-2,2-dimethyl-3-phenylbutan-1-ol?
The canonical SMILES for 4-amino-2,2-dimethyl-3-phenylbutan-1-ol is CC(C)(CO)C(CN)c1ccccc1.
What is the InChIKey of 4-amino-2,2-dimethyl-3-phenylbutan-1-ol?
The InChIKey is QGAUISZPZZWZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,9-14)11(8-13)10-6-4-3-5-7-10/h3-7,11,14H,8-9,13H2,1-2H3.
What are the key properties of 4-amino-2,2-dimethyl-3-phenylbutan-1-ol?
4-amino-2,2-dimethyl-3-phenylbutan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-3-phenylbutan-1-ol is sourced from PubChem (CID 71756865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).