(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol

C16H19NO — CID 129364050

IUPAC(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
SMILESC[C@@](O)(CN)c1ccccc1Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-16(18,12-17)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,18H,11-12,17H2,1H3/t16-/m1/s1
InChIKeyTVQYYFOLOZYHED-MRXNPFEDSA-N
MW241.33 g/mol
LogP2.44
Rot. Bonds4

About (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol

(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol (PubChem CID 129364050) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
PubChem CID129364050
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
SMILESC[C@@](O)(CN)c1ccccc1Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-16(18,12-17)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,18H,11-12,17H2,1H3/t16-/m1/s1
InChIKeyTVQYYFOLOZYHED-MRXNPFEDSA-N
XLogP2.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol?
The IUPAC name of (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol (CID 129364050) is (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol is C[C@@](O)(CN)c1ccccc1Cc1ccccc1.
What is the InChIKey of (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol?
The InChIKey is TVQYYFOLOZYHED-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(18,12-17)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,18H,11-12,17H2,1H3/t16-/m1/s1.
What are the key properties of (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol?
(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-2-(2-benzylphenyl)propan-2-ol is sourced from PubChem (CID 129364050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).