(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine

C15H16ClF3N2 — CID 95785918

IUPAC(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine
SMILESCC[C@@](C)(NCc1ccc(Cl)c2cccnc12)C(F)(F)F
InChIInChI=1S/C15H16ClF3N2/c1-3-14(2,15(17,18)19)21-9-10-6-7-12(16)11-5-4-8-20-13(10)11/h4-8,21H,3,9H2,1-2H3/t14-/m1/s1
InChIKeyVFBCSOVANYAJKV-CQSZACIVSA-N
MW316.75 g/mol
LogP4.71
Rot. Bonds4

About (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine

(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine (PubChem CID 95785918) has the molecular formula C15H16ClF3N2 and a molecular weight of 316.75 g/mol. Its IUPAC name is (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine
PubChem CID95785918
Molecular FormulaC15H16ClF3N2
Molecular Weight316.75 g/mol
Exact Mass316.10
IUPAC Name(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine
SMILESCC[C@@](C)(NCc1ccc(Cl)c2cccnc12)C(F)(F)F
InChIInChI=1S/C15H16ClF3N2/c1-3-14(2,15(17,18)19)21-9-10-6-7-12(16)11-5-4-8-20-13(10)11/h4-8,21H,3,9H2,1-2H3/t14-/m1/s1
InChIKeyVFBCSOVANYAJKV-CQSZACIVSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine with MolForge

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Related Compounds

3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol
CID 103774861
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
CID 104580103
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
CID 115959389
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine?
The IUPAC name of (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine (CID 95785918) is (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine is CC[C@@](C)(NCc1ccc(Cl)c2cccnc12)C(F)(F)F.
What is the InChIKey of (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine?
The InChIKey is VFBCSOVANYAJKV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16ClF3N2/c1-3-14(2,15(17,18)19)21-9-10-6-7-12(16)11-5-4-8-20-13(10)11/h4-8,21H,3,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine?
(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine has a molecular weight of 316.75 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine is sourced from PubChem (CID 95785918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).