N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline

C22H24FNO — CID 143859293

IUPACN-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NC(c2oc3ccc(F)cc3c2C)C2CCCC2)cc1
InChIInChI=1S/C22H24FNO/c1-14-7-10-18(11-8-14)24-21(16-5-3-4-6-16)22-15(2)19-13-17(23)9-12-20(19)25-22/h7-13,16,21,24H,3-6H2,1-2H3
InChIKeyZDJCWCHJRUENKJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP6.53
Rot. Bonds4

About N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline

N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline (PubChem CID 143859293) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline
PubChem CID143859293
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC NameN-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NC(c2oc3ccc(F)cc3c2C)C2CCCC2)cc1
InChIInChI=1S/C22H24FNO/c1-14-7-10-18(11-8-14)24-21(16-5-3-4-6-16)22-15(2)19-13-17(23)9-12-20(19)25-22/h7-13,16,21,24H,3-6H2,1-2H3
InChIKeyZDJCWCHJRUENKJ-UHFFFAOYSA-N
XLogP6.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-[[cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-2-carboxylate
CID 66777793
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147146
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472
3-[[4-[[cyclohexyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]benzoyl]-methylamino]propanoic acid
CID 68629306
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
CID 107139062
cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63068378
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272
1-[(S)-cyclopropyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-(6-sulfamoyl-3-pyridinyl)urea
CID 166532739
ethyl 3-[[4-[[cyclohexyl-[5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]amino]benzoyl]-methylamino]propanoate
CID 66778108

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline?
The IUPAC name of N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline (CID 143859293) is N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline.
What is the SMILES notation for N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline?
The canonical SMILES for N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline is Cc1ccc(NC(c2oc3ccc(F)cc3c2C)C2CCCC2)cc1.
What is the InChIKey of N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline?
The InChIKey is ZDJCWCHJRUENKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO/c1-14-7-10-18(11-8-14)24-21(16-5-3-4-6-16)22-15(2)19-13-17(23)9-12-20(19)25-22/h7-13,16,21,24H,3-6H2,1-2H3.
What are the key properties of N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline?
N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline has a molecular weight of 337.44 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline is sourced from PubChem (CID 143859293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).