2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine

C12H19ClN2O — CID 103269905

IUPAC2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine
SMILESCCOCC(Nc1ccnc(Cl)c1)C(C)C
InChIInChI=1S/C12H19ClN2O/c1-4-16-8-11(9(2)3)15-10-5-6-14-12(13)7-10/h5-7,9,11H,4,8H2,1-3H3,(H,14,15)
InChIKeyGEHTXHYVGKFLIC-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.21
Rot. Bonds6

About 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine

2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine (PubChem CID 103269905) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine
PubChem CID103269905
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine
SMILESCCOCC(Nc1ccnc(Cl)c1)C(C)C
InChIInChI=1S/C12H19ClN2O/c1-4-16-8-11(9(2)3)15-10-5-6-14-12(13)7-10/h5-7,9,11H,4,8H2,1-3H3,(H,14,15)
InChIKeyGEHTXHYVGKFLIC-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 103757100
N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 103269882
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
CID 133360412
2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 103912505
5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 103580433
2-chloro-N-pent-1-yn-3-ylpyridin-4-amine
CID 106232773
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine
CID 103270021
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 103269974

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine (CID 103269905) is 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine is CCOCC(Nc1ccnc(Cl)c1)C(C)C.
What is the InChIKey of 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine?
The InChIKey is GEHTXHYVGKFLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-16-8-11(9(2)3)15-10-5-6-14-12(13)7-10/h5-7,9,11H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine?
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine has a molecular weight of 242.75 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine is sourced from PubChem (CID 103269905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).