1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine

C24H22FNO — CID 67850299

IUPAC1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine
SMILESCc1ccc(-c2c(CNCc3ccccc3F)oc3ccc(C)cc23)cc1
InChIInChI=1S/C24H22FNO/c1-16-7-10-18(11-8-16)24-20-13-17(2)9-12-22(20)27-23(24)15-26-14-19-5-3-4-6-21(19)25/h3-13,26H,14-15H2,1-2H3
InChIKeyYESLCCUPNDJADX-UHFFFAOYSA-N
MW359.44 g/mol
LogP6.15
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine

1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine (PubChem CID 67850299) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine
PubChem CID67850299
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Name1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine
SMILESCc1ccc(-c2c(CNCc3ccccc3F)oc3ccc(C)cc23)cc1
InChIInChI=1S/C24H22FNO/c1-16-7-10-18(11-8-16)24-20-13-17(2)9-12-22(20)27-23(24)15-26-14-19-5-3-4-6-21(19)25/h3-13,26H,14-15H2,1-2H3
InChIKeyYESLCCUPNDJADX-UHFFFAOYSA-N
XLogP6.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mefuparib
CID 71488522
(3S,6S)-6-benzhydryl-N-(1-benzofuran-5-ylmethyl)oxan-3-amine
CID 101897892
1-(1-Benzofuran-2-ylmethyl)-4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazine
CID 44189150
N-((Benzofuran-2-yl)methyl)-N''-(4''-methoxybenzyl)piperazine
CID 46914487
N-(Benzofuran-2-ylmethyl)-N''-(4''-ethoxybenzyl)piperazine
CID 46914771
2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide
CID 127025784
N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide
CID 127026062
N-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1244301
N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
CID 2668546
N-((Benzofuran-2-yl)methyl)-N''-benzylpiperazine
CID 5009938
N-[2-(2-Benzyl-5-ethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 10969292
(2S,4R,5R)-2-benzhydryl-5-(1-benzofuran-5-ylmethylamino)oxan-4-ol
CID 56933421

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine (CID 67850299) is 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine is Cc1ccc(-c2c(CNCc3ccccc3F)oc3ccc(C)cc23)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine?
The InChIKey is YESLCCUPNDJADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO/c1-16-7-10-18(11-8-16)24-20-13-17(2)9-12-22(20)27-23(24)15-26-14-19-5-3-4-6-21(19)25/h3-13,26H,14-15H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine?
1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine has a molecular weight of 359.44 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[5-methyl-3-(4-methylphenyl)-1-benzofuran-2-yl]methyl]methanamine is sourced from PubChem (CID 67850299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).