4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine

C25H35FN2O — CID 23821498

IUPAC4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCC(N(Cc3ccc(F)cc3)Cc3ccco3)CC2)CC1
InChIInChI=1S/C25H35FN2O/c26-22-9-3-21(4-10-22)17-28(18-25-2-1-15-29-25)24-13-7-20(8-14-24)16-19-5-11-23(27)12-6-19/h1-4,9-10,15,19-20,23-24H,5-8,11-14,16-18,27H2
InChIKeyWKYJSKCDOBSIEW-UHFFFAOYSA-N
MW398.57 g/mol
LogP5.89
Rot. Bonds7

About 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine

4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 23821498) has the molecular formula C25H35FN2O and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID23821498
Molecular FormulaC25H35FN2O
Molecular Weight398.57 g/mol
Exact Mass398.27
IUPAC Name4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCC(N(Cc3ccc(F)cc3)Cc3ccco3)CC2)CC1
InChIInChI=1S/C25H35FN2O/c26-22-9-3-21(4-10-22)17-28(18-25-2-1-15-29-25)24-13-7-20(8-14-24)16-19-5-11-23(27)12-6-19/h1-4,9-10,15,19-20,23-24H,5-8,11-14,16-18,27H2
InChIKeyWKYJSKCDOBSIEW-UHFFFAOYSA-N
XLogP5.89
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 23794326
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879316
N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine
CID 62245161
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 107453632
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 122134073
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62611413
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886159
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80658148

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine (CID 23821498) is 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine is NC1CCC(CC2CCC(N(Cc3ccc(F)cc3)Cc3ccco3)CC2)CC1.
What is the InChIKey of 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is WKYJSKCDOBSIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O/c26-22-9-3-21(4-10-22)17-28(18-25-2-1-15-29-25)24-13-7-20(8-14-24)16-19-5-11-23(27)12-6-19/h1-4,9-10,15,19-20,23-24H,5-8,11-14,16-18,27H2.
What are the key properties of 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 398.57 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 23821498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).