(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine

C12H16N2O — CID 11788947

IUPAC(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C12H16N2O/c1-15-11-6-4-10(5-7-11)12(13)14-8-2-3-9-14/h4-7,13H,2-3,8-9H2,1H3/b13-12-
InChIKeyYMGNYFXVZWGGJW-SEYXRHQNSA-N
MW204.27 g/mol
LogP2.12
Rot. Bonds2

About (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine

(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine (PubChem CID 11788947) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
PubChem CID11788947
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C12H16N2O/c1-15-11-6-4-10(5-7-11)12(13)14-8-2-3-9-14/h4-7,13H,2-3,8-9H2,1H3/b13-12-
InChIKeyYMGNYFXVZWGGJW-SEYXRHQNSA-N
XLogP2.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
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

(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine
CID 63179479
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-(4-methoxyphenyl)-N-methyl-1-piperidin-1-ylmethanimine
CID 3049237
(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide
CID 99975753
N-(4-chlorophenyl)-2-[[hydroxy-[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]amino]-5-methoxybenzamide
CID 134244076
(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
CID 63179139
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 110316903
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methylamino]benzamide
CID 18728185
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
(3-bromophenyl)-pyrrolidin-1-ylmethanimine
CID 62047755

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine (CID 11788947) is (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine is [H]/N=C(/c1ccc(OC)cc1)N1CCCC1.
What is the InChIKey of (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine?
The InChIKey is YMGNYFXVZWGGJW-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-11-6-4-10(5-7-11)12(13)14-8-2-3-9-14/h4-7,13H,2-3,8-9H2,1H3/b13-12-.
What are the key properties of (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine?
(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine has a molecular weight of 204.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 11788947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).