N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine

C10H14Cl2N2 — CID 106993491

IUPACN-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-3-6-14(2)7-8-4-5-9(11)13-10(8)12/h4-5H,3,6-7H2,1-2H3
InChIKeyGRHNJWYISUXUQJ-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.23
Rot. Bonds4

About N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine

N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine (PubChem CID 106993491) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine
PubChem CID106993491
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC NameN-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-3-6-14(2)7-8-4-5-9(11)13-10(8)12/h4-5H,3,6-7H2,1-2H3
InChIKeyGRHNJWYISUXUQJ-UHFFFAOYSA-N
XLogP3.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 106993934
2,6-dichloro-3-propylpyridine
CID 23131294
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 106993484
2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 106993926
1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 106993559
N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
CID 106993665
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 106993912
2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 106993658
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 115598263
3-[(2,6-dichloro-3-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 106993640
5-chloro-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 62890602

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine (CID 106993491) is N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine is CCCN(C)Cc1ccc(Cl)nc1Cl.
What is the InChIKey of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine?
The InChIKey is GRHNJWYISUXUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-3-6-14(2)7-8-4-5-9(11)13-10(8)12/h4-5H,3,6-7H2,1-2H3.
What are the key properties of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine?
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine has a molecular weight of 233.14 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 106993491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).