N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine

C13H19Cl2N3 — CID 55204387

IUPACN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1c(Cl)cc(C)nc1Cl)C1CCNC1
InChIInChI=1S/C13H19Cl2N3/c1-3-18(10-4-5-16-7-10)8-11-12(14)6-9(2)17-13(11)15/h6,10,16H,3-5,7-8H2,1-2H3
InChIKeyAVJUSCJUWXBTAZ-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.88
Rot. Bonds4

About N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine

N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine (PubChem CID 55204387) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine
PubChem CID55204387
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC NameN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1c(Cl)cc(C)nc1Cl)C1CCNC1
InChIInChI=1S/C13H19Cl2N3/c1-3-18(10-4-5-16-7-10)8-11-12(14)6-9(2)17-13(11)15/h6,10,16H,3-5,7-8H2,1-2H3
InChIKeyAVJUSCJUWXBTAZ-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.88
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-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705554
ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 62027787
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 115536709
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832
4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 71640963
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine (CID 55204387) is N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine is CCN(Cc1c(Cl)cc(C)nc1Cl)C1CCNC1.
What is the InChIKey of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is AVJUSCJUWXBTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-3-18(10-4-5-16-7-10)8-11-12(14)6-9(2)17-13(11)15/h6,10,16H,3-5,7-8H2,1-2H3.
What are the key properties of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine?
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 288.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 55204387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).