2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol

C16H20N2O — CID 123437393

IUPAC2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol
SMILESCNc1cc(-c2cccc(CC(C)(C)O)c2)ccn1
InChIInChI=1S/C16H20N2O/c1-16(2,19)11-12-5-4-6-13(9-12)14-7-8-18-15(10-14)17-3/h4-10,19H,11H2,1-3H3,(H,17,18)
InChIKeyIXDBPCRCPINARR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.10
Rot. Bonds4

About 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol

2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol (PubChem CID 123437393) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol
PubChem CID123437393
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol
SMILESCNc1cc(-c2cccc(CC(C)(C)O)c2)ccn1
InChIInChI=1S/C16H20N2O/c1-16(2,19)11-12-5-4-6-13(9-12)14-7-8-18-15(10-14)17-3/h4-10,19H,11H2,1-3H3,(H,17,18)
InChIKeyIXDBPCRCPINARR-UHFFFAOYSA-N
XLogP3.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol (CID 123437393) is 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol is CNc1cc(-c2cccc(CC(C)(C)O)c2)ccn1.
What is the InChIKey of 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol?
The InChIKey is IXDBPCRCPINARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,19)11-12-5-4-6-13(9-12)14-7-8-18-15(10-14)17-3/h4-10,19H,11H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol?
2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[2-(methylamino)-4-pyridinyl]phenyl]propan-2-ol is sourced from PubChem (CID 123437393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).