2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine

C10H15ClN2O — CID 104577100

IUPAC2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
SMILESCC(C)OCCNc1ccnc(Cl)c1
InChIInChI=1S/C10H15ClN2O/c1-8(2)14-6-5-12-9-3-4-13-10(11)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyKQMIISTYALFGIV-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.57
Rot. Bonds5

About 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine

2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine (PubChem CID 104577100) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
PubChem CID104577100
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
SMILESCC(C)OCCNc1ccnc(Cl)c1
InChIInChI=1S/C10H15ClN2O/c1-8(2)14-6-5-12-9-3-4-13-10(11)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyKQMIISTYALFGIV-UHFFFAOYSA-N
XLogP2.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine (CID 104577100) is 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine is CC(C)OCCNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine?
The InChIKey is KQMIISTYALFGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-8(2)14-6-5-12-9-3-4-13-10(11)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine?
2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine has a molecular weight of 214.70 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propan-2-yloxyethyl)pyridin-4-amine is sourced from PubChem (CID 104577100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).