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

C14H21ClN2O — CID 103443700

IUPAC(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2ncccc2Cl)C(C)(C)O1
InChIInChI=1S/C14H21ClN2O/c1-13(2)8-9(14(3,4)18-13)11(16)12-10(15)6-5-7-17-12/h5-7,9,11H,8,16H2,1-4H3
InChIKeyKQRJREFXZQWIEC-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.33
Rot. Bonds2

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

(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 103443700) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID103443700
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2ncccc2Cl)C(C)(C)O1
InChIInChI=1S/C14H21ClN2O/c1-13(2)8-9(14(3,4)18-13)11(16)12-10(15)6-5-7-17-12/h5-7,9,11H,8,16H2,1-4H3
InChIKeyKQRJREFXZQWIEC-UHFFFAOYSA-N
XLogP3.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103444028
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623417
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623446
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622806
[(2-methoxy-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341654
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 103443700) is (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)c2ncccc2Cl)C(C)(C)O1.
What is the InChIKey of (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is KQRJREFXZQWIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-13(2)8-9(14(3,4)18-13)11(16)12-10(15)6-5-7-17-12/h5-7,9,11H,8,16H2,1-4H3.
What are the key properties of (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 268.79 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 103443700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).