1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine

C22H25FN2O2 — CID 145487717

IUPAC1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine
SMILESC=C(NC)C1=C(OC)CC(c2ccc(OCc3ccccc3F)cc2)N1C
InChIInChI=1S/C22H25FN2O2/c1-15(24-2)22-21(26-4)13-20(25(22)3)16-9-11-18(12-10-16)27-14-17-7-5-6-8-19(17)23/h5-12,20,24H,1,13-14H2,2-4H3
InChIKeyFAJASMWYXPKXEI-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.37
Rot. Bonds7

About 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine

1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine (PubChem CID 145487717) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine.

Molecular Properties

Compound Name1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine
PubChem CID145487717
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine
SMILESC=C(NC)C1=C(OC)CC(c2ccc(OCc3ccccc3F)cc2)N1C
InChIInChI=1S/C22H25FN2O2/c1-15(24-2)22-21(26-4)13-20(25(22)3)16-9-11-18(12-10-16)27-14-17-7-5-6-8-19(17)23/h5-12,20,24H,1,13-14H2,2-4H3
InChIKeyFAJASMWYXPKXEI-UHFFFAOYSA-N
XLogP4.37
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine with MolForge

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Related Compounds

tert-butyl 2-[4-[(2-fluorophenyl)methoxy]phenyl]-5-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 69157010
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate
CID 95466016
(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
CID 24983463
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
5-[4-[(2-fluorophenyl)methoxy]phenyl]-1-methyl-N-propylpyrrolidine-2-carboxamide;propan-2-yl formate
CID 143436922
(2R,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 59468906
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 131847800
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine?
The IUPAC name of 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine (CID 145487717) is 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine.
What is the SMILES notation for 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine?
The canonical SMILES for 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine is C=C(NC)C1=C(OC)CC(c2ccc(OCc3ccccc3F)cc2)N1C.
What is the InChIKey of 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine?
The InChIKey is FAJASMWYXPKXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(24-2)22-21(26-4)13-20(25(22)3)16-9-11-18(12-10-16)27-14-17-7-5-6-8-19(17)23/h5-12,20,24H,1,13-14H2,2-4H3.
What are the key properties of 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine?
1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine has a molecular weight of 368.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-4-methoxy-1-methyl-2,3-dihydropyrrol-5-yl]-N-methylethenamine is sourced from PubChem (CID 145487717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).