1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine

C24H26FNO2 — CID 122470261

IUPAC1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine
SMILESFc1ccc(C2=C(CN3CCCC3)COc3ccc(OCC4CC4)cc32)cc1
InChIInChI=1S/C24H26FNO2/c25-20-7-5-18(6-8-20)24-19(14-26-11-1-2-12-26)16-28-23-10-9-21(13-22(23)24)27-15-17-3-4-17/h5-10,13,17H,1-4,11-12,14-16H2
InChIKeyAIBFMIJYTWEDAM-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.90
Rot. Bonds6

About 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine

1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine (PubChem CID 122470261) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine
PubChem CID122470261
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Name1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine
SMILESFc1ccc(C2=C(CN3CCCC3)COc3ccc(OCC4CC4)cc32)cc1
InChIInChI=1S/C24H26FNO2/c25-20-7-5-18(6-8-20)24-19(14-26-11-1-2-12-26)16-28-23-10-9-21(13-22(23)24)27-15-17-3-4-17/h5-10,13,17H,1-4,11-12,14-16H2
InChIKeyAIBFMIJYTWEDAM-UHFFFAOYSA-N
XLogP4.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[[1-[[4-(3-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidin-3-yl]methoxy]-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-yl]benzonitrile
CID 153338733
1-[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]ethanone;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidine
CID 157179580
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol
CID 122501736
N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine
CID 139445481
N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-6-methoxy-2H-chromene-3-carboxamide;N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]ethanamine;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine;[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]piperidine
CID 162243913
[4-(4-fluorophenyl)-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;[4-(4-fluorophenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 178039044
N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 122501739
5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 664461
3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
CID 123811801
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 122470217
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine (CID 122470261) is 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine is Fc1ccc(C2=C(CN3CCCC3)COc3ccc(OCC4CC4)cc32)cc1.
What is the InChIKey of 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine?
The InChIKey is AIBFMIJYTWEDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2/c25-20-7-5-18(6-8-20)24-19(14-26-11-1-2-12-26)16-28-23-10-9-21(13-22(23)24)27-15-17-3-4-17/h5-10,13,17H,1-4,11-12,14-16H2.
What are the key properties of 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine?
1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine has a molecular weight of 379.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine is sourced from PubChem (CID 122470261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).