3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine

C14H23ClN2O — CID 82895519

IUPAC3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine
SMILESCCC(CC)(CCl)NCc1cc(OC)cc(C)n1
InChIInChI=1S/C14H23ClN2O/c1-5-14(6-2,10-15)16-9-12-8-13(18-4)7-11(3)17-12/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyGWOPTOMWOYTWLU-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.29
Rot. Bonds7

About 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine

3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine (PubChem CID 82895519) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine
PubChem CID82895519
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine
SMILESCCC(CC)(CCl)NCc1cc(OC)cc(C)n1
InChIInChI=1S/C14H23ClN2O/c1-5-14(6-2,10-15)16-9-12-8-13(18-4)7-11(3)17-12/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyGWOPTOMWOYTWLU-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 82892839
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
1-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylpropan-2-amine
CID 105059500
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103933089
3-(chloromethyl)-N-[(3-methoxyphenyl)methyl]pentan-3-amine
CID 65030147
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
N-[2-(4-methoxy-6-methyl-2-pyridinyl)ethyl]-2-methylpropan-2-amine
CID 82896342
2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365284
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-methylcyclopentan-1-amine
CID 82892831

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine?
The IUPAC name of 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine (CID 82895519) is 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine?
The canonical SMILES for 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine is CCC(CC)(CCl)NCc1cc(OC)cc(C)n1.
What is the InChIKey of 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine?
The InChIKey is GWOPTOMWOYTWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-5-14(6-2,10-15)16-9-12-8-13(18-4)7-11(3)17-12/h7-8,16H,5-6,9-10H2,1-4H3.
What are the key properties of 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine?
3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine has a molecular weight of 270.80 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine is sourced from PubChem (CID 82895519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).