(2S)-2-anilinopropan-1-ol

C9H13NO — CID 21115443

IUPAC(2S)-2-anilinopropan-1-ol
SMILESC[C@@H](CO)Nc1ccccc1
InChIInChI=1S/C9H13NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m0/s1
InChIKeyYKDVNAIVOFRLQX-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.48
Rot. Bonds3

About (2S)-2-anilinopropan-1-ol

(2S)-2-anilinopropan-1-ol (PubChem CID 21115443) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2S)-2-anilinopropan-1-ol.

Molecular Properties

Compound Name(2S)-2-anilinopropan-1-ol
PubChem CID21115443
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2S)-2-anilinopropan-1-ol
SMILESC[C@@H](CO)Nc1ccccc1
InChIInChI=1S/C9H13NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m0/s1
InChIKeyYKDVNAIVOFRLQX-QMMMGPOBSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilinopropan-1-ol?
The IUPAC name of (2S)-2-anilinopropan-1-ol (CID 21115443) is (2S)-2-anilinopropan-1-ol.
What is the SMILES notation for (2S)-2-anilinopropan-1-ol?
The canonical SMILES for (2S)-2-anilinopropan-1-ol is C[C@@H](CO)Nc1ccccc1.
What is the InChIKey of (2S)-2-anilinopropan-1-ol?
The InChIKey is YKDVNAIVOFRLQX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-anilinopropan-1-ol?
(2S)-2-anilinopropan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilinopropan-1-ol is sourced from PubChem (CID 21115443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).