1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol

C11H17ClN2O2 — CID 62470207

IUPAC1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1cccnc1Cl
InChIInChI=1S/C11H17ClN2O2/c1-14(7-10(15)8-16-2)6-9-4-3-5-13-11(9)12/h3-5,10,15H,6-8H2,1-2H3
InChIKeyWXLWXMNHUDPBPH-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.17
Rot. Bonds6

About 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol

1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62470207) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62470207
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1cccnc1Cl
InChIInChI=1S/C11H17ClN2O2/c1-14(7-10(15)8-16-2)6-9-4-3-5-13-11(9)12/h3-5,10,15H,6-8H2,1-2H3
InChIKeyWXLWXMNHUDPBPH-UHFFFAOYSA-N
XLogP1.17
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[methyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 62016123
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol
CID 111118115
2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 55184038
1-[N-[(2-chloro-3-pyridinyl)methyl]anilino]butan-2-ol
CID 110924047
3-chloro-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzonitrile
CID 102665404
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine
CID 62470184
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014776
1-[(5-chloro-2-nitrophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 79493100

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol (CID 62470207) is 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1cccnc1Cl.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is WXLWXMNHUDPBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-14(7-10(15)8-16-2)6-9-4-3-5-13-11(9)12/h3-5,10,15H,6-8H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol?
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 244.72 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62470207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).