N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine

C22H23FN2 — CID 121318760

IUPACN-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
SMILESFc1ccc2nccc(C3CCC(NCc4ccccc4)CC3)c2c1
InChIInChI=1S/C22H23FN2/c23-18-8-11-22-21(14-18)20(12-13-24-22)17-6-9-19(10-7-17)25-15-16-4-2-1-3-5-16/h1-5,8,11-14,17,19,25H,6-7,9-10,15H2
InChIKeyBNRCXLBTDMMGIP-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.19
Rot. Bonds4

About N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine

N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine (PubChem CID 121318760) has the molecular formula C22H23FN2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
PubChem CID121318760
Molecular FormulaC22H23FN2
Molecular Weight334.44 g/mol
Exact Mass334.18
IUPAC NameN-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
SMILESFc1ccc2nccc(C3CCC(NCc4ccccc4)CC3)c2c1
InChIInChI=1S/C22H23FN2/c23-18-8-11-22-21(14-18)20(12-13-24-22)17-6-9-19(10-7-17)25-15-16-4-2-1-3-5-16/h1-5,8,11-14,17,19,25H,6-7,9-10,15H2
InChIKeyBNRCXLBTDMMGIP-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine?
The IUPAC name of N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine (CID 121318760) is N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine.
What is the SMILES notation for N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine?
The canonical SMILES for N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine is Fc1ccc2nccc(C3CCC(NCc4ccccc4)CC3)c2c1.
What is the InChIKey of N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine?
The InChIKey is BNRCXLBTDMMGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2/c23-18-8-11-22-21(14-18)20(12-13-24-22)17-6-9-19(10-7-17)25-15-16-4-2-1-3-5-16/h1-5,8,11-14,17,19,25H,6-7,9-10,15H2.
What are the key properties of N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine?
N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine has a molecular weight of 334.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 121318760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).