1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C15H23ClN2O — CID 103444028

IUPAC1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1ncccc1Cl)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H23ClN2O/c1-14(2)9-10(15(3,4)19-14)12(17-5)13-11(16)7-6-8-18-13/h6-8,10,12,17H,9H2,1-5H3
InChIKeyXOOKEZIDPMFLRY-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 103444028) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID103444028
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1ncccc1Cl)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H23ClN2O/c1-14(2)9-10(15(3,4)19-14)12(17-5)13-11(16)7-6-8-18-13/h6-8,10,12,17H,9H2,1-5H3
InChIKeyXOOKEZIDPMFLRY-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103443700
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623446
N-methyl-1-(6-methyl-3-pyridinyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189233
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110
N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053103
[(2-methoxy-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341654
N-methyl-1-(4-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053060
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105066147
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine
CID 63198063
[(5-chlorofuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 106694790
N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622846

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 103444028) is 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CNC(c1ncccc1Cl)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is XOOKEZIDPMFLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-14(2)9-10(15(3,4)19-14)12(17-5)13-11(16)7-6-8-18-13/h6-8,10,12,17H,9H2,1-5H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 282.81 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 103444028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).