1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine

C19H23NO — CID 101409454

IUPAC1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
SMILESCOc1ccc(C(Cc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C19H23NO/c1-21-18-11-9-17(10-12-18)19(20-13-5-6-14-20)15-16-7-3-2-4-8-16/h2-4,7-12,19H,5-6,13-15H2,1H3
InChIKeyPYDGPZBIRPOOHK-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.07
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine

1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine (PubChem CID 101409454) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
PubChem CID101409454
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
SMILESCOc1ccc(C(Cc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C19H23NO/c1-21-18-11-9-17(10-12-18)19(20-13-5-6-14-20)15-16-7-3-2-4-8-16/h2-4,7-12,19H,5-6,13-15H2,1H3
InChIKeyPYDGPZBIRPOOHK-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
CID 54609342
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353
(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide
CID 33473833
2-(4-benzylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43061248
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
tert-butyl 4-[1,2-bis(4-methoxyphenyl)ethyl]piperazine-1-carboxylate;ethane
CID 143935572

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine?
The IUPAC name of 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine (CID 101409454) is 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine is COc1ccc(C(Cc2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine?
The InChIKey is PYDGPZBIRPOOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-18-11-9-17(10-12-18)19(20-13-5-6-14-20)15-16-7-3-2-4-8-16/h2-4,7-12,19H,5-6,13-15H2,1H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine?
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine is sourced from PubChem (CID 101409454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).