N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride

C9H14Cl2N2 — CID 115614136

IUPACN-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1cccnc1Cl.Cl
InChIInChI=1S/C9H13ClN2.ClH/c1-7(2)12-6-8-4-3-5-11-9(8)10;/h3-5,7,12H,6H2,1-2H3;1H
InChIKeyPBFOQUONEOUXQE-UHFFFAOYSA-N
MW221.13 g/mol
LogP2.65
Rot. Bonds3

About N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride

N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride (PubChem CID 115614136) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
PubChem CID115614136
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1cccnc1Cl.Cl
InChIInChI=1S/C9H13ClN2.ClH/c1-7(2)12-6-8-4-3-5-11-9(8)10;/h3-5,7,12H,6H2,1-2H3;1H
InChIKeyPBFOQUONEOUXQE-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 115614185
N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
CID 115656031
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639950
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
2-[(2-chloro-3-pyridinyl)methylamino]-3-methylpentan-1-ol
CID 115644875
N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297778
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757397
3-[(2-chloro-3-pyridinyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115644851
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride (CID 115614136) is N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride is CC(C)NCc1cccnc1Cl.Cl.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride?
The InChIKey is PBFOQUONEOUXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2.ClH/c1-7(2)12-6-8-4-3-5-11-9(8)10;/h3-5,7,12H,6H2,1-2H3;1H.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride?
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride has a molecular weight of 221.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 115614136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).