(1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine

C24H26ClFN2 — CID 162671176

IUPAC(1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine
SMILESC[C@@H](NCc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H26ClFN2/c1-16(28-15-17-2-8-20(25)9-3-17)18-4-6-19(7-5-18)22-12-13-27-24-11-10-21(26)14-23(22)24/h2-3,8-14,16,18-19,28H,4-7,15H2,1H3/t16-,18?,19?/m1/s1
InChIKeyWSLBPXOPHCNTLZ-IPJUCJBFSA-N
MW396.94 g/mol
LogP6.48
Rot. Bonds5

About (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine

(1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine (PubChem CID 162671176) has the molecular formula C24H26ClFN2 and a molecular weight of 396.94 g/mol. Its IUPAC name is (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine
PubChem CID162671176
Molecular FormulaC24H26ClFN2
Molecular Weight396.94 g/mol
Exact Mass396.18
IUPAC Name(1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine
SMILESC[C@@H](NCc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H26ClFN2/c1-16(28-15-17-2-8-20(25)9-3-17)18-4-6-19(7-5-18)22-12-13-27-24-11-10-21(26)14-23(22)24/h2-3,8-14,16,18-19,28H,4-7,15H2,1H3/t16-,18?,19?/m1/s1
InChIKeyWSLBPXOPHCNTLZ-IPJUCJBFSA-N
XLogP6.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.94
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine?
The IUPAC name of (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine (CID 162671176) is (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine.
What is the SMILES notation for (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine?
The canonical SMILES for (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine is C[C@@H](NCc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine?
The InChIKey is WSLBPXOPHCNTLZ-IPJUCJBFSA-N. The full InChI is InChI=1S/C24H26ClFN2/c1-16(28-15-17-2-8-20(25)9-3-17)18-4-6-19(7-5-18)22-12-13-27-24-11-10-21(26)14-23(22)24/h2-3,8-14,16,18-19,28H,4-7,15H2,1H3/t16-,18?,19?/m1/s1.
What are the key properties of (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine?
(1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine has a molecular weight of 396.94 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine is sourced from PubChem (CID 162671176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).