5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile

C18H19ClN2O2 — CID 119138468

IUPAC5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCC2(c3ccc(Cl)cc3)CCOCC2)o1
InChIInChI=1S/C18H19ClN2O2/c19-15-3-1-14(2-4-15)18(7-9-22-10-8-18)13-21-12-17-6-5-16(11-20)23-17/h1-6,21H,7-10,12-13H2
InChIKeyIEEUFHSGFHVAAP-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.64
Rot. Bonds5

About 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile

5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile (PubChem CID 119138468) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile
PubChem CID119138468
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCC2(c3ccc(Cl)cc3)CCOCC2)o1
InChIInChI=1S/C18H19ClN2O2/c19-15-3-1-14(2-4-15)18(7-9-22-10-8-18)13-21-12-17-6-5-16(11-20)23-17/h1-6,21H,7-10,12-13H2
InChIKeyIEEUFHSGFHVAAP-UHFFFAOYSA-N
XLogP3.64
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile (CID 119138468) is 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile is N#Cc1ccc(CNCC2(c3ccc(Cl)cc3)CCOCC2)o1.
What is the InChIKey of 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile?
The InChIKey is IEEUFHSGFHVAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-3-1-14(2-4-15)18(7-9-22-10-8-18)13-21-12-17-6-5-16(11-20)23-17/h1-6,21H,7-10,12-13H2.
What are the key properties of 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile?
5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile has a molecular weight of 330.82 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 119138468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).