N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine

C14H23ClN2O — CID 83268152

IUPACN-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cnc(Cl)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C14H23ClN2O/c1-10(2)17(11(3)4)6-7-18-13-8-14(15)16-9-12(13)5/h8-11H,6-7H2,1-5H3
InChIKeyKHSZKVIHPWCLBT-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.54
Rot. Bonds6

About N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 83268152) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID83268152
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cnc(Cl)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C14H23ClN2O/c1-10(2)17(11(3)4)6-7-18-13-8-14(15)16-9-12(13)5/h8-11H,6-7H2,1-5H3
InChIKeyKHSZKVIHPWCLBT-UHFFFAOYSA-N
XLogP3.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 83268152) is N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine is Cc1cnc(Cl)cc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is KHSZKVIHPWCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-10(2)17(11(3)4)6-7-18-13-8-14(15)16-9-12(13)5/h8-11H,6-7H2,1-5H3.
What are the key properties of N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 270.80 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 83268152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).