1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine

C19H24N2O — CID 18687605

IUPAC1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine
SMILESc1ccc(CONC(CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-3-9-17(10-4-1)16-22-20-19(15-21-13-7-8-14-21)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2
InChIKeyCUAZMIQRVQSLKX-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.54
Rot. Bonds7

About 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine

1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine (PubChem CID 18687605) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine
PubChem CID18687605
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine
SMILESc1ccc(CONC(CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-3-9-17(10-4-1)16-22-20-19(15-21-13-7-8-14-21)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2
InChIKeyCUAZMIQRVQSLKX-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.54
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 15261432
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2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
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(2S,3R)-1-[(1S)-1-phenylethyl]-2-(3-phenylmethoxypropyl)pyrrolidin-3-amine
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(3R,5R)-2-benzyl-3,5-diphenyl-1,2-oxazolidine
CID 12140991
(1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine (CID 18687605) is 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine is c1ccc(CONC(CN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine?
The InChIKey is CUAZMIQRVQSLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-9-17(10-4-1)16-22-20-19(15-21-13-7-8-14-21)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2.
What are the key properties of 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine?
1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine has a molecular weight of 296.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 18687605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).