(S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol

C14H16N2O — CID 124501220

IUPAC(S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol
SMILESCNc1ncc([C@@H](O)c2ccccc2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-8-12(9-16-14(10)15-2)13(17)11-6-4-3-5-7-11/h3-9,13,17H,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyVBWZCBXFDQTDRU-ZDUSSCGKSA-N
MW228.30 g/mol
LogP2.51
Rot. Bonds3

About (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol

(S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol (PubChem CID 124501220) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol
PubChem CID124501220
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol
SMILESCNc1ncc([C@@H](O)c2ccccc2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-8-12(9-16-14(10)15-2)13(17)11-6-4-3-5-7-11/h3-9,13,17H,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyVBWZCBXFDQTDRU-ZDUSSCGKSA-N
XLogP2.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol?
The IUPAC name of (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol (CID 124501220) is (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol?
The canonical SMILES for (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol is CNc1ncc([C@@H](O)c2ccccc2)cc1C.
What is the InChIKey of (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol?
The InChIKey is VBWZCBXFDQTDRU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-8-12(9-16-14(10)15-2)13(17)11-6-4-3-5-7-11/h3-9,13,17H,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol?
(S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol has a molecular weight of 228.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 124501220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).