1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol

C11H17ClN2O — CID 79381503

IUPAC1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCN(Cc1cc(Cl)ccn1)CC(C)(C)O
InChIInChI=1S/C11H17ClN2O/c1-11(2,15)8-14(3)7-10-6-9(12)4-5-13-10/h4-6,15H,7-8H2,1-3H3
InChIKeyAWZPVFDHHYRLEN-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.94
Rot. Bonds4

About 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol

1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 79381503) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol
PubChem CID79381503
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCN(Cc1cc(Cl)ccn1)CC(C)(C)O
InChIInChI=1S/C11H17ClN2O/c1-11(2,15)8-14(3)7-10-6-9(12)4-5-13-10/h4-6,15H,7-8H2,1-3H3
InChIKeyAWZPVFDHHYRLEN-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol (CID 79381503) is 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol is CN(Cc1cc(Cl)ccn1)CC(C)(C)O.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is AWZPVFDHHYRLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-11(2,15)8-14(3)7-10-6-9(12)4-5-13-10/h4-6,15H,7-8H2,1-3H3.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol?
1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79381503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).