1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol

C11H17ClN2O2 — CID 106254317

IUPAC1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccncc1Cl
InChIInChI=1S/C11H17ClN2O2/c1-11(15,4-6-16-2)8-14-10-3-5-13-7-9(10)12/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyACXXJWITGTXDAW-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.93
Rot. Bonds6

About 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106254317) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106254317
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccncc1Cl
InChIInChI=1S/C11H17ClN2O2/c1-11(15,4-6-16-2)8-14-10-3-5-13-7-9(10)12/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyACXXJWITGTXDAW-UHFFFAOYSA-N
XLogP1.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106254317) is 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1ccncc1Cl.
What is the InChIKey of 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is ACXXJWITGTXDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-11(15,4-6-16-2)8-14-10-3-5-13-7-9(10)12/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 244.72 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106254317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).