3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine

C9H15ClN2 — CID 175320207

IUPAC3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine
SMILESCC1=CC(Cl)N(CCCN)C=C1
InChIInChI=1S/C9H15ClN2/c1-8-3-6-12(5-2-4-11)9(10)7-8/h3,6-7,9H,2,4-5,11H2,1H3
InChIKeyMEPJJXDAKQYJRK-UHFFFAOYSA-N
MW186.69 g/mol
LogP1.68
Rot. Bonds3

About 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine

3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine (PubChem CID 175320207) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine
PubChem CID175320207
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine
SMILESCC1=CC(Cl)N(CCCN)C=C1
InChIInChI=1S/C9H15ClN2/c1-8-3-6-12(5-2-4-11)9(10)7-8/h3,6-7,9H,2,4-5,11H2,1H3
InChIKeyMEPJJXDAKQYJRK-UHFFFAOYSA-N
XLogP1.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine?
The IUPAC name of 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine (CID 175320207) is 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine is CC1=CC(Cl)N(CCCN)C=C1.
What is the InChIKey of 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is MEPJJXDAKQYJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2/c1-8-3-6-12(5-2-4-11)9(10)7-8/h3,6-7,9H,2,4-5,11H2,1H3.
What are the key properties of 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine?
3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 186.69 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methyl-2H-pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 175320207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).