1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine

C14H23ClN2O2 — CID 102928424

IUPAC1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
SMILESCCNC(CCOCCOC)Cc1ccncc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-3-17-13(5-7-19-9-8-18-2)10-12-4-6-16-11-14(12)15/h4,6,11,13,17H,3,5,7-10H2,1-2H3
InChIKeyRYKZGFWCRGSWRV-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.31
Rot. Bonds10

About 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine

1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine (PubChem CID 102928424) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
PubChem CID102928424
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
SMILESCCNC(CCOCCOC)Cc1ccncc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-3-17-13(5-7-19-9-8-18-2)10-12-4-6-16-11-14(12)15/h4,6,11,13,17H,3,5,7-10H2,1-2H3
InChIKeyRYKZGFWCRGSWRV-UHFFFAOYSA-N
XLogP2.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.31
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

1-(3-chloro-4-pyridinyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546851
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928454
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine
CID 105157342
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197915
1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
CID 102928141
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102930015
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105157384
[1-(3-chloro-4-pyridinyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212419

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine (CID 102928424) is 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine is CCNC(CCOCCOC)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine?
The InChIKey is RYKZGFWCRGSWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-3-17-13(5-7-19-9-8-18-2)10-12-4-6-16-11-14(12)15/h4,6,11,13,17H,3,5,7-10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine?
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine has a molecular weight of 286.80 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine is sourced from PubChem (CID 102928424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).