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

C25H35ClN2O — CID 23794326

IUPAC4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCC(N(Cc3ccc(Cl)cc3)Cc3ccco3)CC2)CC1
InChIInChI=1S/C25H35ClN2O/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
InChIKeyWGVLMYFOYSGWLL-UHFFFAOYSA-N
MW415.02 g/mol
LogP6.40
Rot. Bonds7

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

4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 23794326) has the molecular formula C25H35ClN2O and a molecular weight of 415.02 g/mol. Its IUPAC name is 4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID23794326
Molecular FormulaC25H35ClN2O
Molecular Weight415.02 g/mol
Exact Mass414.24
IUPAC Name4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(CC2CCC(N(Cc3ccc(Cl)cc3)Cc3ccco3)CC2)CC1
InChIInChI=1S/C25H35ClN2O/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
InChIKeyWGVLMYFOYSGWLL-UHFFFAOYSA-N
XLogP6.40
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.02
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine (CID 23794326) is 4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine is NC1CCC(CC2CCC(N(Cc3ccc(Cl)cc3)Cc3ccco3)CC2)CC1.
What is the InChIKey of 4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is WGVLMYFOYSGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN2O/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-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 415.02 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 23794326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).