N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine

C21H24N2O — CID 126488738

IUPACN-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine
SMILESC/N=C/c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1
InChIInChI=1S/C21H24N2O/c1-22-15-16-8-10-18(11-9-16)24-21-19-7-3-2-6-17(19)14-20(21)23-12-4-5-13-23/h2-3,6-11,15,20-21H,4-5,12-14H2,1H3/b22-15+/t20-,21-/m0/s1
InChIKeyGJNXKEHGXNKGMF-PPGLHRCHSA-N
MW320.44 g/mol
LogP3.88
Rot. Bonds4

About N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine

N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine (PubChem CID 126488738) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine
PubChem CID126488738
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine
SMILESC/N=C/c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1
InChIInChI=1S/C21H24N2O/c1-22-15-16-8-10-18(11-9-16)24-21-19-7-3-2-6-17(19)14-20(21)23-12-4-5-13-23/h2-3,6-11,15,20-21H,4-5,12-14H2,1H3/b22-15+/t20-,21-/m0/s1
InChIKeyGJNXKEHGXNKGMF-PPGLHRCHSA-N
XLogP3.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
CID 58393443
4-[[(1R,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzonitrile
CID 167993650
3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine
CID 67310634
1-[1-(2-chloro-4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidine
CID 58393893
5-(methyl-methylidene-oxo-λ6-sulfanyl)-2-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]cyclohexa-1,3-diene-1,3-diol
CID 143950581
(3R)-1-[(1R,2S)-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-N-(3,3,3-trifluoropropyl)piperidin-3-amine
CID 67310925
2,3-dichloro-N-methyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
CID 134133503
1-N,4-N-bis[2-[2-[2-[[4-[[(1R,2R)-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide
CID 73295417
(3R)-1-[(1S,2S)-1-(4-methylsulfanylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393687
1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
CID 90369189
3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
CID 76775087
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine?
The IUPAC name of N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine (CID 126488738) is N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine.
What is the SMILES notation for N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine?
The canonical SMILES for N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine is C/N=C/c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1.
What is the InChIKey of N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine?
The InChIKey is GJNXKEHGXNKGMF-PPGLHRCHSA-N. The full InChI is InChI=1S/C21H24N2O/c1-22-15-16-8-10-18(11-9-16)24-21-19-7-3-2-6-17(19)14-20(21)23-12-4-5-13-23/h2-3,6-11,15,20-21H,4-5,12-14H2,1H3/b22-15+/t20-,21-/m0/s1.
What are the key properties of N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine?
N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine has a molecular weight of 320.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanimine is sourced from PubChem (CID 126488738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).