(Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine

C19H22N2O — CID 21106374

IUPAC(Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine
SMILESCN1CCCC1/C(=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-21-14-8-13-18(21)19(17-11-6-3-7-12-17)20-22-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3/b20-19-
InChIKeyNNLDYVMLIJOGQJ-VXPUYCOJSA-N
MW294.40 g/mol
LogP3.70
Rot. Bonds5

About (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine

(Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine (PubChem CID 21106374) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine
PubChem CID21106374
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine
SMILESCN1CCCC1/C(=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-21-14-8-13-18(21)19(17-11-6-3-7-12-17)20-22-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3/b20-19-
InChIKeyNNLDYVMLIJOGQJ-VXPUYCOJSA-N
XLogP3.70
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-iodophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 46844431
8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine
CID 46844432
N-[(4-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 46881578
8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine
CID 46881579
N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine
CID 338334
8-methyl-8-azabicyclo[3.2.1]octan-3-one O-benzhydryloxime
CID 3440230
(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 10948221
8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 46881758
(2S,3R,5S,6R)-3,5-dimethyl-2,6-diphenyl-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine
CID 71453287
(2R,6S)-1-allyl-N-benzyloxy-2,6-diphenyl-piperidin-4-imine
CID 71458655
(2R,3S,6S)-1-allyl-N-benzyloxy-3-methyl-2,6-diphenyl-piperidin-4-imine
CID 71460471
(2R,3S,6S)-1-allyl-N-benzyloxy-3-ethyl-2,6-diphenyl-piperidin-4-imine
CID 71462184

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The IUPAC name of (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine (CID 21106374) is (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine.
What is the SMILES notation for (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The canonical SMILES for (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine is CN1CCCC1/C(=N\OCc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The InChIKey is NNLDYVMLIJOGQJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21-14-8-13-18(21)19(17-11-6-3-7-12-17)20-22-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3/b20-19-.
What are the key properties of (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
(Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine has a molecular weight of 294.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine is sourced from PubChem (CID 21106374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).