(1S,3R)-3-anilino-1-phenylbutan-1-ol

C16H19NO — CID 134976130

IUPAC(1S,3R)-3-anilino-1-phenylbutan-1-ol
SMILESC[C@H](C[C@H](O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H19NO/c1-13(17-15-10-6-3-7-11-15)12-16(18)14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3/t13-,16+/m1/s1
InChIKeyVWGLKJJSPXNWTA-CJNGLKHVSA-N
MW241.33 g/mol
LogP3.61
Rot. Bonds5

About (1S,3R)-3-anilino-1-phenylbutan-1-ol

(1S,3R)-3-anilino-1-phenylbutan-1-ol (PubChem CID 134976130) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S,3R)-3-anilino-1-phenylbutan-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-anilino-1-phenylbutan-1-ol
PubChem CID134976130
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S,3R)-3-anilino-1-phenylbutan-1-ol
SMILESC[C@H](C[C@H](O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H19NO/c1-13(17-15-10-6-3-7-11-15)12-16(18)14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3/t13-,16+/m1/s1
InChIKeyVWGLKJJSPXNWTA-CJNGLKHVSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-anilino-1-phenylbutan-1-ol?
The IUPAC name of (1S,3R)-3-anilino-1-phenylbutan-1-ol (CID 134976130) is (1S,3R)-3-anilino-1-phenylbutan-1-ol.
What is the SMILES notation for (1S,3R)-3-anilino-1-phenylbutan-1-ol?
The canonical SMILES for (1S,3R)-3-anilino-1-phenylbutan-1-ol is C[C@H](C[C@H](O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of (1S,3R)-3-anilino-1-phenylbutan-1-ol?
The InChIKey is VWGLKJJSPXNWTA-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(17-15-10-6-3-7-11-15)12-16(18)14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3/t13-,16+/m1/s1.
What are the key properties of (1S,3R)-3-anilino-1-phenylbutan-1-ol?
(1S,3R)-3-anilino-1-phenylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-anilino-1-phenylbutan-1-ol is sourced from PubChem (CID 134976130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).