N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine

C13H21ClN2O2 — CID 62288773

IUPACN-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(OCCCOC)ccc1Cl
InChIInChI=1S/C13H21ClN2O2/c1-3-7-15-10-12-11(14)5-6-13(16-12)18-9-4-8-17-2/h5-6,15H,3-4,7-10H2,1-2H3
InChIKeyFZNHCXJGRIXBCU-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.65
Rot. Bonds9

About N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62288773) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62288773
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(OCCCOC)ccc1Cl
InChIInChI=1S/C13H21ClN2O2/c1-3-7-15-10-12-11(14)5-6-13(16-12)18-9-4-8-17-2/h5-6,15H,3-4,7-10H2,1-2H3
InChIKeyFZNHCXJGRIXBCU-UHFFFAOYSA-N
XLogP2.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-chloro-6-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 82792522
N-[(6-but-3-enoxy-3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 62289677
N-[(3-chloro-6-octoxy-2-pyridinyl)methyl]ethanamine
CID 63488462
N-[[3-chloro-6-(cyclohexylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 63489698
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450
N-[[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291624
1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
CID 55194459
N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298286
N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62291916
N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 63488284
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
CID 103403961

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine (CID 62288773) is N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(OCCCOC)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is FZNHCXJGRIXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-3-7-15-10-12-11(14)5-6-13(16-12)18-9-4-8-17-2/h5-6,15H,3-4,7-10H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 272.78 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62288773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).