[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine

C21H28N2O — CID 113235018

IUPAC[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CCC(CN)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-2-13-23-14-12-19(15-22)21(23)18-8-10-20(11-9-18)24-16-17-6-4-3-5-7-17/h3-11,19,21H,2,12-16,22H2,1H3
InChIKeyGJWYRHJWJHGRRM-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.00
Rot. Bonds7

About [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine

[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine (PubChem CID 113235018) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine
PubChem CID113235018
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CCC(CN)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-2-13-23-14-12-19(15-22)21(23)18-8-10-20(11-9-18)24-16-17-6-4-3-5-7-17/h3-11,19,21H,2,12-16,22H2,1H3
InChIKeyGJWYRHJWJHGRRM-UHFFFAOYSA-N
XLogP4.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-methyl-7-(4-phenylmethoxyphenyl)azepan-2-one
CID 113235020
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 113242171
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 114239520
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66700307
(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
CID 169114961
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine (CID 113235018) is [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine is CCCN1CCC(CN)C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine?
The InChIKey is GJWYRHJWJHGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-2-13-23-14-12-19(15-22)21(23)18-8-10-20(11-9-18)24-16-17-6-4-3-5-7-17/h3-11,19,21H,2,12-16,22H2,1H3.
What are the key properties of [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine?
[2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine has a molecular weight of 324.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylmethoxyphenyl)-1-propylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 113235018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).