1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine

C13H21ClN2O — CID 105157358

IUPAC1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
SMILESCCOCCCC(Cc1ccncc1Cl)NC
InChIInChI=1S/C13H21ClN2O/c1-3-17-8-4-5-12(15-2)9-11-6-7-16-10-13(11)14/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKeyYWGPSGZMJTYZBM-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.68
Rot. Bonds8

About 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine

1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine (PubChem CID 105157358) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
PubChem CID105157358
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
SMILESCCOCCCC(Cc1ccncc1Cl)NC
InChIInChI=1S/C13H21ClN2O/c1-3-17-8-4-5-12(15-2)9-11-6-7-16-10-13(11)14/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKeyYWGPSGZMJTYZBM-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928424
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 105087467
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238
4-(2-bromohexyl)-3-chloropyridine
CID 112656103
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine (CID 105157358) is 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine is CCOCCCC(Cc1ccncc1Cl)NC.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine?
The InChIKey is YWGPSGZMJTYZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-3-17-8-4-5-12(15-2)9-11-6-7-16-10-13(11)14/h6-7,10,12,15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine?
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine has a molecular weight of 256.78 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine is sourced from PubChem (CID 105157358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).