(S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol

C15H16N2O — CID 124503031

IUPAC(S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1ccc(NC2CC2)nc1
InChIInChI=1S/C15H16N2O/c18-15(11-4-2-1-3-5-11)12-6-9-14(16-10-12)17-13-7-8-13/h1-6,9-10,13,15,18H,7-8H2,(H,16,17)/t15-/m0/s1
InChIKeyMPWDWPXMOVDZPM-HNNXBMFYSA-N
MW240.31 g/mol
LogP2.74
Rot. Bonds4

About (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol

(S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol (PubChem CID 124503031) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol
PubChem CID124503031
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1ccc(NC2CC2)nc1
InChIInChI=1S/C15H16N2O/c18-15(11-4-2-1-3-5-11)12-6-9-14(16-10-12)17-13-7-8-13/h1-6,9-10,13,15,18H,7-8H2,(H,16,17)/t15-/m0/s1
InChIKeyMPWDWPXMOVDZPM-HNNXBMFYSA-N
XLogP2.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol?
The IUPAC name of (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol (CID 124503031) is (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol?
The canonical SMILES for (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol is O[C@@H](c1ccccc1)c1ccc(NC2CC2)nc1.
What is the InChIKey of (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol?
The InChIKey is MPWDWPXMOVDZPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(11-4-2-1-3-5-11)12-6-9-14(16-10-12)17-13-7-8-13/h1-6,9-10,13,15,18H,7-8H2,(H,16,17)/t15-/m0/s1.
What are the key properties of (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol?
(S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol has a molecular weight of 240.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 124503031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).