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

C11H16Cl2N2 — CID 106993484

IUPACN-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
SMILESCCN(Cc1ccc(Cl)nc1Cl)C(C)C
InChIInChI=1S/C11H16Cl2N2/c1-4-15(8(2)3)7-9-5-6-10(12)14-11(9)13/h5-6,8H,4,7H2,1-3H3
InChIKeyNLJXUUPFCQIZCU-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.62
Rot. Bonds4

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

N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine (PubChem CID 106993484) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
PubChem CID106993484
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC NameN-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
SMILESCCN(Cc1ccc(Cl)nc1Cl)C(C)C
InChIInChI=1S/C11H16Cl2N2/c1-4-15(8(2)3)7-9-5-6-10(12)14-11(9)13/h5-6,8H,4,7H2,1-3H3
InChIKeyNLJXUUPFCQIZCU-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.62
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

6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
2-Chloro-5-(1-methyl-2-pyrrolidinyl)pyridine
CID 10262111
2-Chloro-5-methyl-pyridine
CID 581393
2'-Chloro-N-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl
CID 45262543
2-Chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
CID 3711158
2-Chloro-3-methylpyridine
CID 87603
2,6-Dichloro-3-(trichloromethyl)pyridine
CID 108701
5-(Aminomethyl)-2-chloropyridine
CID 7020927
2-Chloro-5-(piperidin-1-ylmethyl)pyridine
CID 1473525
(6-Chloro-3-pyridinyl)methyl-trimethylazanium
CID 9877853
5-[(Azetidin-1-yl)methyl]-2-chloropyridine
CID 9964264
2-Chloro-5-(pyrrolidin-1-ylmethyl)pyridine
CID 9964356

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine?
The IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine (CID 106993484) is N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine.
What is the SMILES notation for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine?
The canonical SMILES for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine is CCN(Cc1ccc(Cl)nc1Cl)C(C)C.
What is the InChIKey of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine?
The InChIKey is NLJXUUPFCQIZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-4-15(8(2)3)7-9-5-6-10(12)14-11(9)13/h5-6,8H,4,7H2,1-3H3.
What are the key properties of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine?
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine has a molecular weight of 247.17 g/mol, XLogP of 3.62, 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-ethylpropan-2-amine is sourced from PubChem (CID 106993484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).