N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine

C13H18N2O — CID 90458221

IUPACN-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine
SMILESCOc1cc(C)ccc1/N=C/N1CCCC1
InChIInChI=1S/C13H18N2O/c1-11-5-6-12(13(9-11)16-2)14-10-15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3/b14-10+
InChIKeyAVULDZVTSYNPSP-GXDHUFHOSA-N
MW218.30 g/mol
LogP2.76
Rot. Bonds3

About N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine

N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine (PubChem CID 90458221) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine
PubChem CID90458221
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine
SMILESCOc1cc(C)ccc1/N=C/N1CCCC1
InChIInChI=1S/C13H18N2O/c1-11-5-6-12(13(9-11)16-2)14-10-15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3/b14-10+
InChIKeyAVULDZVTSYNPSP-GXDHUFHOSA-N
XLogP2.76
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine
CID 118868224
N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine
CID 141214772
1-azido-2-methoxy-4-methylbenzene
CID 152671087
(4-methylphenyl)methyl 2,3-dimethyl-4-(pyrrolidin-1-ylmethylideneamino)benzoate
CID 155324767
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine
CID 90458687
N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carbothioamide
CID 19653629
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 58654539
CID 131844912
CID 131844912
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
CID 23850129
2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde
CID 18683542
4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 2351511

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine (CID 90458221) is N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine is COc1cc(C)ccc1/N=C/N1CCCC1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine?
The InChIKey is AVULDZVTSYNPSP-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-5-6-12(13(9-11)16-2)14-10-15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3/b14-10+.
What are the key properties of N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine?
N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine has a molecular weight of 218.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 90458221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).