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

C9H13ClN2O — CID 103873023

IUPAC2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ccnc(Cl)c1
InChIInChI=1S/C9H13ClN2O/c1-7(6-13)12(2)8-3-4-11-9(10)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyOFNIJSXXXUVFKR-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.55
Rot. Bonds3

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

2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol (PubChem CID 103873023) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
PubChem CID103873023
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ccnc(Cl)c1
InChIInChI=1S/C9H13ClN2O/c1-7(6-13)12(2)8-3-4-11-9(10)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyOFNIJSXXXUVFKR-UHFFFAOYSA-N
XLogP1.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(ethylamino)-4-pyridinyl]-methylamino]propan-1-ol
CID 104557112
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
CID 103756833
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
2-(aminomethyl)-N-butan-2-yl-N-methylpyridin-4-amine
CID 62300854
2-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-4-amine
CID 62283982
2-[[(2-chloro-4-pyridinyl)-methylamino]methyl]butanoic acid
CID 177061326
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
N-tert-butyl-2-chloro-N-ethylpyridin-4-amine
CID 130921684
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 115765259

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol (CID 103873023) is 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol is CC(CO)N(C)c1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol?
The InChIKey is OFNIJSXXXUVFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-7(6-13)12(2)8-3-4-11-9(10)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol?
2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol is sourced from PubChem (CID 103873023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).