N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine

C12H19ClN2O — CID 63985137

IUPACN-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCCCN(CCCl)Cc1cccc(OC)n1
InChIInChI=1S/C12H19ClN2O/c1-3-8-15(9-7-13)10-11-5-4-6-12(14-11)16-2/h4-6H,3,7-10H2,1-2H3
InChIKeyLHTVEUYRXUFNRV-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.54
Rot. Bonds7

About N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine

N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine (PubChem CID 63985137) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
PubChem CID63985137
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
SMILESCCCN(CCCl)Cc1cccc(OC)n1
InChIInChI=1S/C12H19ClN2O/c1-3-8-15(9-7-13)10-11-5-4-6-12(14-11)16-2/h4-6H,3,7-10H2,1-2H3
InChIKeyLHTVEUYRXUFNRV-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine (CID 63985137) is N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine is CCCN(CCCl)Cc1cccc(OC)n1.
What is the InChIKey of N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is LHTVEUYRXUFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-8-15(9-7-13)10-11-5-4-6-12(14-11)16-2/h4-6H,3,7-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine?
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 242.75 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63985137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).