ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine

C18H25FN2 — CID 142561485

IUPACethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
SMILESCC.NCC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C16H19FN2.C2H6/c17-13-5-6-16-15(9-13)14(7-8-19-16)12-3-1-11(10-18)2-4-12;1-2/h5-9,11-12H,1-4,10,18H2;1-2H3
InChIKeyHNRZHWUMPMVGKL-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.63
Rot. Bonds2

About ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine

ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine (PubChem CID 142561485) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Nameethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
PubChem CID142561485
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Nameethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
SMILESCC.NCC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C16H19FN2.C2H6/c17-13-5-6-16-15(9-13)14(7-8-19-16)12-3-1-11(10-18)2-4-12;1-2/h5-9,11-12H,1-4,10,18H2;1-2H3
InChIKeyHNRZHWUMPMVGKL-UHFFFAOYSA-N
XLogP4.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
6-fluoro-4-[4-(2-isocyanatoethyl)cyclohexyl]quinoline
CID 134284395
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
CID 175384912
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
tert-butyl-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethylideneamino]-oxidosulfanium
CID 174048964
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole
CID 162465058
6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
CID 138664200

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine?
The IUPAC name of ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine (CID 142561485) is ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine?
The canonical SMILES for ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine is CC.NCC1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine?
The InChIKey is HNRZHWUMPMVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2.C2H6/c17-13-5-6-16-15(9-13)14(7-8-19-16)12-3-1-11(10-18)2-4-12;1-2/h5-9,11-12H,1-4,10,18H2;1-2H3.
What are the key properties of ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine?
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine has a molecular weight of 288.41 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 142561485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).