N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine

C12H17Cl3N2O — CID 102750784

IUPACN-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCC(C)N(CCOC)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl3N2O/c1-4-8(2)17(5-6-18-3)12-10(14)7-9(13)11(15)16-12/h7-8H,4-6H2,1-3H3
InChIKeyFIFBJICBFHZGAP-UHFFFAOYSA-N
MW311.64 g/mol
LogP4.29
Rot. Bonds6

About N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine

N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 102750784) has the molecular formula C12H17Cl3N2O and a molecular weight of 311.64 g/mol. Its IUPAC name is N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID102750784
Molecular FormulaC12H17Cl3N2O
Molecular Weight311.64 g/mol
Exact Mass310.04
IUPAC NameN-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCC(C)N(CCOC)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl3N2O/c1-4-8(2)17(5-6-18-3)12-10(14)7-9(13)11(15)16-12/h7-8H,4-6H2,1-3H3
InChIKeyFIFBJICBFHZGAP-UHFFFAOYSA-N
XLogP4.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 54.29
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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Related Compounds

N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80905477
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357
N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972379
4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine
CID 114043716
3,5-dichloro-6-N-(1-cyclopropylethyl)-2-N-ethyl-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 102757373
3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 102750408
6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102757349
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 113286494
N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine
CID 62289000
N-butan-2-yl-N-butyl-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761856
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 63728317
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine (CID 102750784) is N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine is CCC(C)N(CCOC)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is FIFBJICBFHZGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl3N2O/c1-4-8(2)17(5-6-18-3)12-10(14)7-9(13)11(15)16-12/h7-8H,4-6H2,1-3H3.
What are the key properties of N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine?
N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 311.64 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 102750784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).