1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine

C22H29NO2 — CID 6580000

IUPAC1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine
SMILESCc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@H](C(C)C)C2)cc1
InChIInChI=1S/C22H29NO2/c1-17(2)21-15-22(11-14-25-21,19-8-6-18(3)7-9-19)10-12-23-16-20-5-4-13-24-20/h4-9,13,16-17,21H,10-12,14-15H2,1-3H3/b23-16+/t21-,22-/m0/s1
InChIKeyFLNVWIKRXYKORZ-BIDSZKBNSA-N
MW339.48 g/mol
LogP5.17
Rot. Bonds6

About 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine

1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine (PubChem CID 6580000) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine
PubChem CID6580000
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine
SMILESCc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@H](C(C)C)C2)cc1
InChIInChI=1S/C22H29NO2/c1-17(2)21-15-22(11-14-25-21,19-8-6-18(3)7-9-19)10-12-23-16-20-5-4-13-24-20/h4-9,13,16-17,21H,10-12,14-15H2,1-3H3/b23-16+/t21-,22-/m0/s1
InChIKeyFLNVWIKRXYKORZ-BIDSZKBNSA-N
XLogP5.17
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine 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 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine (CID 6580000) is 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine is Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@H](C(C)C)C2)cc1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine?
The InChIKey is FLNVWIKRXYKORZ-BIDSZKBNSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17(2)21-15-22(11-14-25-21,19-8-6-18(3)7-9-19)10-12-23-16-20-5-4-13-24-20/h4-9,13,16-17,21H,10-12,14-15H2,1-3H3/b23-16+/t21-,22-/m0/s1.
What are the key properties of 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine?
1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine has a molecular weight of 339.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine is sourced from PubChem (CID 6580000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).