1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine

C19H22N2O — CID 91145454

IUPAC1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine
SMILESCN1CCCC1=C(NOCc1ccccc1)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/h2-7,9-12,20H,8,13-15H2,1H3
InChIKeyRWZLJDQDQZYLHT-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.80
Rot. Bonds5

About 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine

1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine (PubChem CID 91145454) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine
PubChem CID91145454
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine
SMILESCN1CCCC1=C(NOCc1ccccc1)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/h2-7,9-12,20H,8,13-15H2,1H3
InChIKeyRWZLJDQDQZYLHT-UHFFFAOYSA-N
XLogP3.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 45874038
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2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
CID 11403756
N,N,O-tribenzylhydroxylamine
CID 12045651
N-benzyl-N-phenylmethoxypropan-2-amine
CID 134883639
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
1-(1-azabicyclo[2.2.2]octan-2-ylidene)-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 91092501
1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine
CID 91145559
3-Fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine
CID 159261513
(3R,5S)-4-Butyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13118868
(3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13118869
(3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13169761

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine?
The IUPAC name of 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine (CID 91145454) is 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine is CN1CCCC1=C(NOCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine?
The InChIKey is RWZLJDQDQZYLHT-UHFFFAOYSA-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/h2-7,9-12,20H,8,13-15H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine?
1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine is sourced from PubChem (CID 91145454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).