N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C13H19Cl2N3 — CID 106615575

IUPACN-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cnc(Cl)cc1Cl)CC1CCCN1
InChIInChI=1S/C13H19Cl2N3/c1-2-18(9-11-4-3-5-16-11)8-10-7-17-13(15)6-12(10)14/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyZJYBASHXEQUSSE-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.96
Rot. Bonds5

About N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106615575) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106615575
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC NameN-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cnc(Cl)cc1Cl)CC1CCCN1
InChIInChI=1S/C13H19Cl2N3/c1-2-18(9-11-4-3-5-16-11)8-10-7-17-13(15)6-12(10)14/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyZJYBASHXEQUSSE-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615398
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603805
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603544

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106615575) is N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(Cc1cnc(Cl)cc1Cl)CC1CCCN1.
What is the InChIKey of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is ZJYBASHXEQUSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-2-18(9-11-4-3-5-16-11)8-10-7-17-13(15)6-12(10)14/h6-7,11,16H,2-5,8-9H2,1H3.
What are the key properties of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 288.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106615575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).