3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine

C10H15ClN2 — CID 83880440

IUPAC3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
SMILESCc1ccc(CC(C)CN)nc1Cl
InChIInChI=1S/C10H15ClN2/c1-7(6-12)5-9-4-3-8(2)10(11)13-9/h3-4,7H,5-6,12H2,1-2H3
InChIKeyRGDFCMYLLXIKJE-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.18
Rot. Bonds3

About 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine

3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine (PubChem CID 83880440) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
PubChem CID83880440
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
SMILESCc1ccc(CC(C)CN)nc1Cl
InChIInChI=1S/C10H15ClN2/c1-7(6-12)5-9-4-3-8(2)10(11)13-9/h3-4,7H,5-6,12H2,1-2H3
InChIKeyRGDFCMYLLXIKJE-UHFFFAOYSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
CID 82247293
3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine
CID 82246747
2-chloro-3-methyl-6-propylpyridine
CID 14321055
2-chloro-6-(6-chloro-5-methyl-2-pyridinyl)-3-methylpyridine
CID 25228536
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
2-methyl-3-(4,5,7-trimethylquinolin-2-yl)propan-1-amine
CID 82576813
3-(2,8-dimethylquinolin-6-yl)-2-methylpropan-1-amine
CID 82576782
2,6-dichloro-3-methylpyridine
CID 817088
4-(2-chloro-3-methylquinolin-6-yl)-2-methylbutan-1-amine
CID 116997855
2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246
3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine
CID 82576819
3-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpropan-1-amine
CID 83847571

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine (CID 83880440) is 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine is Cc1ccc(CC(C)CN)nc1Cl.
What is the InChIKey of 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is RGDFCMYLLXIKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7(6-12)5-9-4-3-8(2)10(11)13-9/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine?
3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 198.70 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83880440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).