2-anilino-2-phenylbutan-1-ol

C16H19NO — CID 61046783

IUPAC2-anilino-2-phenylbutan-1-ol
SMILESCCC(CO)(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-16(13-18,14-9-5-3-6-10-14)17-15-11-7-4-8-12-15/h3-12,17-18H,2,13H2,1H3
InChIKeyRKAAYLNLDASLBV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.40
Rot. Bonds5

About 2-anilino-2-phenylbutan-1-ol

2-anilino-2-phenylbutan-1-ol (PubChem CID 61046783) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-anilino-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-anilino-2-phenylbutan-1-ol
PubChem CID61046783
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-anilino-2-phenylbutan-1-ol
SMILESCCC(CO)(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-16(13-18,14-9-5-3-6-10-14)17-15-11-7-4-8-12-15/h3-12,17-18H,2,13H2,1H3
InChIKeyRKAAYLNLDASLBV-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-phenylbutan-1-ol?
The IUPAC name of 2-anilino-2-phenylbutan-1-ol (CID 61046783) is 2-anilino-2-phenylbutan-1-ol.
What is the SMILES notation for 2-anilino-2-phenylbutan-1-ol?
The canonical SMILES for 2-anilino-2-phenylbutan-1-ol is CCC(CO)(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 2-anilino-2-phenylbutan-1-ol?
The InChIKey is RKAAYLNLDASLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-16(13-18,14-9-5-3-6-10-14)17-15-11-7-4-8-12-15/h3-12,17-18H,2,13H2,1H3.
What are the key properties of 2-anilino-2-phenylbutan-1-ol?
2-anilino-2-phenylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-phenylbutan-1-ol is sourced from PubChem (CID 61046783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).