1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine

C19H24N2O — CID 130528313

IUPAC1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
SMILESCC1CC(NOCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-16-12-19(20-22-15-18-10-6-3-7-11-18)14-21(16)13-17-8-4-2-5-9-17/h2-11,16,19-20H,12-15H2,1H3
InChIKeyRUXZSAGUAJLGGR-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.37
Rot. Bonds6

About 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine

1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine (PubChem CID 130528313) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
PubChem CID130528313
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
SMILESCC1CC(NOCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-16-12-19(20-22-15-18-10-6-3-7-11-18)14-21(16)13-17-8-4-2-5-9-17/h2-11,16,19-20H,12-15H2,1H3
InChIKeyRUXZSAGUAJLGGR-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.37
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

(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
CID 130528224
1-benzyl-N-[1-(4-methoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 113260760
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine
CID 131197683

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine?
The IUPAC name of 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine (CID 130528313) is 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine is CC1CC(NOCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine?
The InChIKey is RUXZSAGUAJLGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16-12-19(20-22-15-18-10-6-3-7-11-18)14-21(16)13-17-8-4-2-5-9-17/h2-11,16,19-20H,12-15H2,1H3.
What are the key properties of 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine?
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine has a molecular weight of 296.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine is sourced from PubChem (CID 130528313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).