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

C11H17ClN2O — CID 103736532

IUPAC1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ccncc1Cl
InChIInChI=1S/C11H17ClN2O/c1-3-5-11(2,15)8-14-10-4-6-13-7-9(10)12/h4,6-7,15H,3,5,8H2,1-2H3,(H,13,14)
InChIKeyMOOUVGVMRMLMNC-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.70
Rot. Bonds5

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

1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol (PubChem CID 103736532) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
PubChem CID103736532
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ccncc1Cl
InChIInChI=1S/C11H17ClN2O/c1-3-5-11(2,15)8-14-10-4-6-13-7-9(10)12/h4,6-7,15H,3,5,8H2,1-2H3,(H,13,14)
InChIKeyMOOUVGVMRMLMNC-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254317
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332
3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
CID 104624053
3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol
CID 65110464
3-N-(3-chloro-4-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165698
2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
CID 79840144
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol
CID 106292432
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
CID 79840811
3-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-4-amine
CID 106117270

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol (CID 103736532) is 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1ccncc1Cl.
What is the InChIKey of 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol?
The InChIKey is MOOUVGVMRMLMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-5-11(2,15)8-14-10-4-6-13-7-9(10)12/h4,6-7,15H,3,5,8H2,1-2H3,(H,13,14).
What are the key properties of 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol?
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 103736532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).