[4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol

C15H18N2O — CID 81239072

IUPAC[4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol
SMILESCc1cc(C)cc(N(C)c2ccncc2CO)c1
InChIInChI=1S/C15H18N2O/c1-11-6-12(2)8-14(7-11)17(3)15-4-5-16-9-13(15)10-18/h4-9,18H,10H2,1-3H3
InChIKeyPMRFFALGSBFUJB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.96
Rot. Bonds3

About [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol

[4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol (PubChem CID 81239072) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol
PubChem CID81239072
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol
SMILESCc1cc(C)cc(N(C)c2ccncc2CO)c1
InChIInChI=1S/C15H18N2O/c1-11-6-12(2)8-14(7-11)17(3)15-4-5-16-9-13(15)10-18/h4-9,18H,10H2,1-3H3
InChIKeyPMRFFALGSBFUJB-UHFFFAOYSA-N
XLogP2.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol?
The IUPAC name of [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol (CID 81239072) is [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol?
The canonical SMILES for [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol is Cc1cc(C)cc(N(C)c2ccncc2CO)c1.
What is the InChIKey of [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol?
The InChIKey is PMRFFALGSBFUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-12(2)8-14(7-11)17(3)15-4-5-16-9-13(15)10-18/h4-9,18H,10H2,1-3H3.
What are the key properties of [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol?
[4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol has a molecular weight of 242.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol is sourced from PubChem (CID 81239072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).