N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine

C15H25ClN2O3 — CID 103405941

IUPACN-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCCOCCOC)c(Cl)c1
InChIInChI=1S/C15H25ClN2O3/c1-3-5-17-11-13-10-14(16)15(18-12-13)21-7-4-6-20-9-8-19-2/h10,12,17H,3-9,11H2,1-2H3
InChIKeyLOCKNPSBOQVFNY-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.67
Rot. Bonds12

About N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 103405941) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
PubChem CID103405941
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC NameN-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCCOCCOC)c(Cl)c1
InChIInChI=1S/C15H25ClN2O3/c1-3-5-17-11-13-10-14(16)15(18-12-13)21-7-4-6-20-9-8-19-2/h10,12,17H,3-9,11H2,1-2H3
InChIKeyLOCKNPSBOQVFNY-UHFFFAOYSA-N
XLogP2.67
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
CID 103405668
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
3,5-dichloro-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyridin-2-amine
CID 103408318
1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679769
2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
CID 61267855
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine (CID 103405941) is N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(OCCCOCCOC)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is LOCKNPSBOQVFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O3/c1-3-5-17-11-13-10-14(16)15(18-12-13)21-7-4-6-20-9-8-19-2/h10,12,17H,3-9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 316.83 g/mol, XLogP of 2.67, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 103405941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).