N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine

C10H15ClN2O — CID 79039990

IUPACN-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1cccc(Cl)n1
InChIInChI=1S/C10H15ClN2O/c1-13(6-7-14-2)8-9-4-3-5-10(11)12-9/h3-5H,6-8H2,1-2H3
InChIKeyQUPWAKHXFXWIID-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.81
Rot. Bonds5

About N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine

N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine (PubChem CID 79039990) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
PubChem CID79039990
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC NameN-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1cccc(Cl)n1
InChIInChI=1S/C10H15ClN2O/c1-13(6-7-14-2)8-9-4-3-5-10(11)12-9/h3-5H,6-8H2,1-2H3
InChIKeyQUPWAKHXFXWIID-UHFFFAOYSA-N
XLogP1.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.81
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-2-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 79038272
2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115665477
N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
CID 130612866
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N-[(6-chloro-2-pyridinyl)methyl]-N-methylpentan-3-amine
CID 79240734
tert-butyl N-[(6-chloro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133058135
N-[(5-ethyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 90369559
6-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 115772722
N-[[6-[[3-methoxypropyl(methyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906493
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597
6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81073763

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine (CID 79039990) is N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1cccc(Cl)n1.
What is the InChIKey of N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine?
The InChIKey is QUPWAKHXFXWIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-13(6-7-14-2)8-9-4-3-5-10(11)12-9/h3-5H,6-8H2,1-2H3.
What are the key properties of N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine?
N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine has a molecular weight of 214.70 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 79039990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).