N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

C14H21Cl2N3 — CID 116519037

IUPACN-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3/c1-3-19-6-4-5-12(19)10-18(2)9-11-8-17-14(16)7-13(11)15/h7-8,12H,3-6,9-10H2,1-2H3
InChIKeyQEBQWOFITPXOKS-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.30
Rot. Bonds5

About N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (PubChem CID 116519037) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
PubChem CID116519037
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC NameN-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3/c1-3-19-6-4-5-12(19)10-18(2)9-11-8-17-14(16)7-13(11)15/h7-8,12H,3-6,9-10H2,1-2H3
InChIKeyQEBQWOFITPXOKS-UHFFFAOYSA-N
XLogP3.30
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79314477
1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518954
1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518837
2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 116519073
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (CID 116519037) is N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is CCN1CCCC1CN(C)Cc1cnc(Cl)cc1Cl.
What is the InChIKey of N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The InChIKey is QEBQWOFITPXOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-3-19-6-4-5-12(19)10-18(2)9-11-8-17-14(16)7-13(11)15/h7-8,12H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine has a molecular weight of 302.25 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 116519037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).