2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane

C20H28ClFN2 — CID 144795868

IUPAC2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane
SMILESCC.Cc1cc(-c2cc(C(C)(C)NC(C)C)cc(Cl)n2)ccc1F
InChIInChI=1S/C18H22ClFN2.C2H6/c1-11(2)22-18(4,5)14-9-16(21-17(19)10-14)13-6-7-15(20)12(3)8-13;1-2/h6-11,22H,1-5H3;1-2H3
InChIKeySGAPKTLFSUQWAB-UHFFFAOYSA-N
MW350.91 g/mol
LogP6.11
Rot. Bonds4

About 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane

2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane (PubChem CID 144795868) has the molecular formula C20H28ClFN2 and a molecular weight of 350.91 g/mol. Its IUPAC name is 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane.

Molecular Properties

Compound Name2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane
PubChem CID144795868
Molecular FormulaC20H28ClFN2
Molecular Weight350.91 g/mol
Exact Mass350.19
IUPAC Name2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane
SMILESCC.Cc1cc(-c2cc(C(C)(C)NC(C)C)cc(Cl)n2)ccc1F
InChIInChI=1S/C18H22ClFN2.C2H6/c1-11(2)22-18(4,5)14-9-16(21-17(19)10-14)13-6-7-15(20)12(3)8-13;1-2/h6-11,22H,1-5H3;1-2H3
InChIKeySGAPKTLFSUQWAB-UHFFFAOYSA-N
XLogP6.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.91
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane?
The IUPAC name of 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane (CID 144795868) is 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane.
What is the SMILES notation for 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane?
The canonical SMILES for 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane is CC.Cc1cc(-c2cc(C(C)(C)NC(C)C)cc(Cl)n2)ccc1F.
What is the InChIKey of 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane?
The InChIKey is SGAPKTLFSUQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2.C2H6/c1-11(2)22-18(4,5)14-9-16(21-17(19)10-14)13-6-7-15(20)12(3)8-13;1-2/h6-11,22H,1-5H3;1-2H3.
What are the key properties of 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane?
2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane has a molecular weight of 350.91 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane is sourced from PubChem (CID 144795868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).