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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Related Compounds

N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline
CID 145397632
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
CID 138608756
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylpropanamide
CID 138595573

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).