(4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine

C16H18F2N2 — CID 105097828

IUPAC(4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine
SMILESNC(c1cnc2ccccc2c1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H18F2N2/c17-16(18)7-5-11(6-8-16)15(19)13-9-12-3-1-2-4-14(12)20-10-13/h1-4,9-11,15H,5-8,19H2
InChIKeyCJOXLJPTCYSNQV-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.06
Rot. Bonds2

About (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine

(4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine (PubChem CID 105097828) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine
PubChem CID105097828
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name(4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine
SMILESNC(c1cnc2ccccc2c1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H18F2N2/c17-16(18)7-5-11(6-8-16)15(19)13-9-12-3-1-2-4-14(12)20-10-13/h1-4,9-11,15H,5-8,19H2
InChIKeyCJOXLJPTCYSNQV-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine (CID 105097828) is (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine is NC(c1cnc2ccccc2c1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine?
The InChIKey is CJOXLJPTCYSNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c17-16(18)7-5-11(6-8-16)15(19)13-9-12-3-1-2-4-14(12)20-10-13/h1-4,9-11,15H,5-8,19H2.
What are the key properties of (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine?
(4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine has a molecular weight of 276.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine is sourced from PubChem (CID 105097828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).