5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine

C13H21ClN2O — CID 107205014

IUPAC5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine
SMILESCOc1ncccc1CN(C)CCCCCCl
InChIInChI=1S/C13H21ClN2O/c1-16(10-5-3-4-8-14)11-12-7-6-9-15-13(12)17-2/h6-7,9H,3-5,8,10-11H2,1-2H3
InChIKeyCFONPVCDORCJCZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.93
Rot. Bonds8

About 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine

5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine (PubChem CID 107205014) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine
PubChem CID107205014
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine
SMILESCOc1ncccc1CN(C)CCCCCCl
InChIInChI=1S/C13H21ClN2O/c1-16(10-5-3-4-8-14)11-12-7-6-9-15-13(12)17-2/h6-7,9H,3-5,8,10-11H2,1-2H3
InChIKeyCFONPVCDORCJCZ-UHFFFAOYSA-N
XLogP2.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107204474
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 63391571
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107205019
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
CID 53185000
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
3-(2-methoxy-3-pyridinyl)propan-1-amine
CID 55266989

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine (CID 107205014) is 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine is COc1ncccc1CN(C)CCCCCCl.
What is the InChIKey of 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine?
The InChIKey is CFONPVCDORCJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-16(10-5-3-4-8-14)11-12-7-6-9-15-13(12)17-2/h6-7,9H,3-5,8,10-11H2,1-2H3.
What are the key properties of 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine?
5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine has a molecular weight of 256.78 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 107205014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).