2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol

C20H26N2O2 — CID 67657058

IUPAC2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol
SMILESCOc1ccccc1C1C(CCO)CN(N)C1(C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-20(16-8-4-3-5-9-16)19(15(12-13-23)14-22(20)21)17-10-6-7-11-18(17)24-2/h3-11,15,19,23H,12-14,21H2,1-2H3
InChIKeyPEBGANLMIMBXCB-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.88
Rot. Bonds5

About 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol

2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol (PubChem CID 67657058) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol
PubChem CID67657058
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol
SMILESCOc1ccccc1C1C(CCO)CN(N)C1(C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-20(16-8-4-3-5-9-16)19(15(12-13-23)14-22(20)21)17-10-6-7-11-18(17)24-2/h3-11,15,19,23H,12-14,21H2,1-2H3
InChIKeyPEBGANLMIMBXCB-UHFFFAOYSA-N
XLogP2.88
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,3S)-3-(2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768049
1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazole
CID 2842353
2-[1-(2-methoxyphenyl)-6,6-dimethylpiperidin-3-yl]ethanol
CID 117021351
[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol
CID 67782895
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82395877
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
(3S,4R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70769598
[2-(2-methoxyphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol
CID 82119498
1,2-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
CID 174941478
4-(2-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546673

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol (CID 67657058) is 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol is COc1ccccc1C1C(CCO)CN(N)C1(C)c1ccccc1.
What is the InChIKey of 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol?
The InChIKey is PEBGANLMIMBXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(16-8-4-3-5-9-16)19(15(12-13-23)14-22(20)21)17-10-6-7-11-18(17)24-2/h3-11,15,19,23H,12-14,21H2,1-2H3.
What are the key properties of 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol?
2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol has a molecular weight of 326.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-4-(2-methoxyphenyl)-5-methyl-5-phenylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 67657058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).