[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine

C22H25FN2 — CID 84612219

IUPAC[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine
SMILESNCC1CCC(c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C22H25FN2/c23-19-11-7-17(8-12-19)14-25-15-21(20-3-1-2-4-22(20)25)18-9-5-16(13-24)6-10-18/h1-4,7-8,11-12,15-16,18H,5-6,9-10,13-14,24H2
InChIKeyLOKLXZZCOIZKQB-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.06
Rot. Bonds4

About [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine

[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine (PubChem CID 84612219) has the molecular formula C22H25FN2 and a molecular weight of 336.45 g/mol. Its IUPAC name is [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine
PubChem CID84612219
Molecular FormulaC22H25FN2
Molecular Weight336.45 g/mol
Exact Mass336.20
IUPAC Name[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine
SMILESNCC1CCC(c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C22H25FN2/c23-19-11-7-17(8-12-19)14-25-15-21(20-3-1-2-4-22(20)25)18-9-5-16(13-24)6-10-18/h1-4,7-8,11-12,15-16,18H,5-6,9-10,13-14,24H2
InChIKeyLOKLXZZCOIZKQB-UHFFFAOYSA-N
XLogP5.06
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole
CID 84612315
4-[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-1-(3-methylphenyl)butan-1-ol
CID 70007741
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-[3-(methyliminomethyl)phenyl]methanone
CID 135268146
1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole
CID 84612316
3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
CID 84612194
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 69367148
[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 25066524
3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135351
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-1-(pyridin-4-ylmethyl)piperidin-2-one
CID 164781493

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine (CID 84612219) is [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine is NCC1CCC(c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine?
The InChIKey is LOKLXZZCOIZKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2/c23-19-11-7-17(8-12-19)14-25-15-21(20-3-1-2-4-22(20)25)18-9-5-16(13-24)6-10-18/h1-4,7-8,11-12,15-16,18H,5-6,9-10,13-14,24H2.
What are the key properties of [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine?
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine has a molecular weight of 336.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine is sourced from PubChem (CID 84612219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).