4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine

C23H32N2O2 — CID 75494222

IUPAC4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
SMILESCC(NC1(CNCc2ccc(C3CC3C)o2)CCOCC1)c1ccccc1
InChIInChI=1S/C23H32N2O2/c1-17-14-21(17)22-9-8-20(27-22)15-24-16-23(10-12-26-13-11-23)25-18(2)19-6-4-3-5-7-19/h3-9,17-18,21,24-25H,10-16H2,1-2H3
InChIKeyZXJCGYDYWHXRHF-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.39
Rot. Bonds8

About 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine

4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine (PubChem CID 75494222) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine.

Molecular Properties

Compound Name4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
PubChem CID75494222
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
SMILESCC(NC1(CNCc2ccc(C3CC3C)o2)CCOCC1)c1ccccc1
InChIInChI=1S/C23H32N2O2/c1-17-14-21(17)22-9-8-20(27-22)15-24-16-23(10-12-26-13-11-23)25-18(2)19-6-4-3-5-7-19/h3-9,17-18,21,24-25H,10-16H2,1-2H3
InChIKeyZXJCGYDYWHXRHF-UHFFFAOYSA-N
XLogP4.39
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine?
The IUPAC name of 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine (CID 75494222) is 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine.
What is the SMILES notation for 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine?
The canonical SMILES for 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine is CC(NC1(CNCc2ccc(C3CC3C)o2)CCOCC1)c1ccccc1.
What is the InChIKey of 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine?
The InChIKey is ZXJCGYDYWHXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-17-14-21(17)22-9-8-20(27-22)15-24-16-23(10-12-26-13-11-23)25-18(2)19-6-4-3-5-7-19/h3-9,17-18,21,24-25H,10-16H2,1-2H3.
What are the key properties of 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine?
4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine has a molecular weight of 368.52 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine is sourced from PubChem (CID 75494222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).