1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine

C28H30FNO — CID 68929187

IUPAC1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3ccc(OCc4ccccc4)cc3F)ccc2C1
InChIInChI=1S/C28H30FNO/c1-20-6-5-15-30(20)25-12-11-22-16-24(10-9-23(22)17-25)27-14-13-26(18-28(27)29)31-19-21-7-3-2-4-8-21/h2-4,7-10,13-14,16,18,20,25H,5-6,11-12,15,17,19H2,1H3
InChIKeyXWUDCLDGOKZKGE-UHFFFAOYSA-N
MW415.55 g/mol
LogP6.41
Rot. Bonds5

About 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine

1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (PubChem CID 68929187) has the molecular formula C28H30FNO and a molecular weight of 415.55 g/mol. Its IUPAC name is 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
PubChem CID68929187
Molecular FormulaC28H30FNO
Molecular Weight415.55 g/mol
Exact Mass415.23
IUPAC Name1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3ccc(OCc4ccccc4)cc3F)ccc2C1
InChIInChI=1S/C28H30FNO/c1-20-6-5-15-30(20)25-12-11-22-16-24(10-9-23(22)17-25)27-14-13-26(18-28(27)29)31-19-21-7-3-2-4-8-21/h2-4,7-10,13-14,16,18,20,25H,5-6,11-12,15,17,19H2,1H3
InChIKeyXWUDCLDGOKZKGE-UHFFFAOYSA-N
XLogP6.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 68926816
2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 68933562
ethyl 4-[6-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoate
CID 68932127
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
1-[(2-fluoro-5-phenylmethoxyphenyl)methyl]-6-methylpiperidin-2-one
CID 177164803
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776
1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 24753957
6-[[4-(5-ethoxy-2-fluorophenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 58990655

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The IUPAC name of 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (CID 68929187) is 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The canonical SMILES for 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is CC1CCCN1C1CCc2cc(-c3ccc(OCc4ccccc4)cc3F)ccc2C1.
What is the InChIKey of 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The InChIKey is XWUDCLDGOKZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO/c1-20-6-5-15-30(20)25-12-11-22-16-24(10-9-23(22)17-25)27-14-13-26(18-28(27)29)31-19-21-7-3-2-4-8-21/h2-4,7-10,13-14,16,18,20,25H,5-6,11-12,15,17,19H2,1H3.
What are the key properties of 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine has a molecular weight of 415.55 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is sourced from PubChem (CID 68929187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).