(1S,2S)-1-anilino-1-phenylpropan-2-ol

C15H17NO — CID 166445226

IUPAC(1S,2S)-1-anilino-1-phenylpropan-2-ol
SMILESC[C@H](O)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12(17)15(13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12,15-17H,1H3/t12-,15+/m0/s1
InChIKeyXFUBVGFYEYVUAK-SWLSCSKDSA-N
MW227.31 g/mol
LogP3.22
Rot. Bonds4

About (1S,2S)-1-anilino-1-phenylpropan-2-ol

(1S,2S)-1-anilino-1-phenylpropan-2-ol (PubChem CID 166445226) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S,2S)-1-anilino-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-anilino-1-phenylpropan-2-ol
PubChem CID166445226
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1S,2S)-1-anilino-1-phenylpropan-2-ol
SMILESC[C@H](O)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12(17)15(13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12,15-17H,1H3/t12-,15+/m0/s1
InChIKeyXFUBVGFYEYVUAK-SWLSCSKDSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
methyl (2S,3S)-2-[(S)-anilino(phenyl)methyl]-3-hydroxybutanoate
CID 132509763
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
1-hydrazinyl-1-phenylpropan-2-ol
CID 55279644
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600
3-anilinobutan-2-ol
CID 13494330
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
CID 11056163
methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
1-anilino-2-methyl-1-phenylpentan-3-one
CID 10539778
N-(2-nitro-1-phenylpropyl)aniline
CID 6710790
1-anilinoethanol;hydrate
CID 173450384

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-anilino-1-phenylpropan-2-ol?
The IUPAC name of (1S,2S)-1-anilino-1-phenylpropan-2-ol (CID 166445226) is (1S,2S)-1-anilino-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2S)-1-anilino-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2S)-1-anilino-1-phenylpropan-2-ol is C[C@H](O)[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-1-anilino-1-phenylpropan-2-ol?
The InChIKey is XFUBVGFYEYVUAK-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(17)15(13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12,15-17H,1H3/t12-,15+/m0/s1.
What are the key properties of (1S,2S)-1-anilino-1-phenylpropan-2-ol?
(1S,2S)-1-anilino-1-phenylpropan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-anilino-1-phenylpropan-2-ol is sourced from PubChem (CID 166445226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).