4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol

C10H15ClN2O — CID 115689322

IUPAC4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)c1ncccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-8(14)5-7-13(2)10-9(11)4-3-6-12-10/h3-4,6,8,14H,5,7H2,1-2H3
InChIKeyQDYAWHOTSMHXOQ-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.94
Rot. Bonds4

About 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol

4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol (PubChem CID 115689322) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
PubChem CID115689322
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)c1ncccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-8(14)5-7-13(2)10-9(11)4-3-6-12-10/h3-4,6,8,14H,5,7H2,1-2H3
InChIKeyQDYAWHOTSMHXOQ-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 60870040
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591421
4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol
CID 133455026
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
4-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]butan-2-ol
CID 102759983
N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 80670684
3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388310
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
4-[methyl(pyridin-4-yl)amino]butan-2-ol
CID 115745235

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol (CID 115689322) is 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol is CC(O)CCN(C)c1ncccc1Cl.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol?
The InChIKey is QDYAWHOTSMHXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-8(14)5-7-13(2)10-9(11)4-3-6-12-10/h3-4,6,8,14H,5,7H2,1-2H3.
What are the key properties of 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol?
4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol has a molecular weight of 214.70 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 4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol is sourced from PubChem (CID 115689322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).