2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane

C31H44N2O2 — CID 168924257

IUPAC2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane
SMILESCC.CCCCC(Cc1ccc2occc2c1)NC.CNC(Cc1ccc2occc2c1)C1CC1
InChIInChI=1S/C15H21NO.C14H17NO.C2H6/c1-3-4-5-14(16-2)11-12-6-7-15-13(10-12)8-9-17-15;1-15-13(11-3-4-11)9-10-2-5-14-12(8-10)6-7-16-14;1-2/h6-10,14,16H,3-5,11H2,1-2H3;2,5-8,11,13,15H,3-4,9H2,1H3;1-2H3
InChIKeyIGTUFJGXPPZBCL-UHFFFAOYSA-N
MW476.71 g/mol
LogP7.75
Rot. Bonds10

About 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane

2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane (PubChem CID 168924257) has the molecular formula C31H44N2O2 and a molecular weight of 476.71 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane
PubChem CID168924257
Molecular FormulaC31H44N2O2
Molecular Weight476.71 g/mol
Exact Mass476.34
IUPAC Name2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane
SMILESCC.CCCCC(Cc1ccc2occc2c1)NC.CNC(Cc1ccc2occc2c1)C1CC1
InChIInChI=1S/C15H21NO.C14H17NO.C2H6/c1-3-4-5-14(16-2)11-12-6-7-15-13(10-12)8-9-17-15;1-15-13(11-3-4-11)9-10-2-5-14-12(8-10)6-7-16-14;1-2/h6-10,14,16H,3-5,11H2,1-2H3;2,5-8,11,13,15H,3-4,9H2,1H3;1-2H3
InChIKeyIGTUFJGXPPZBCL-UHFFFAOYSA-N
XLogP7.75
TPSA50.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-5-yl)-1-cyclobutyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylpentan-2-amine
CID 168925996
2-(1-benzofuran-5-yl)-1-cyclopropylethanamine
CID 83831831
(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine
CID 170234991
2-(1-benzofuran-5-yl)-N-methylethanamine
CID 168924293
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane
CID 143221470
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane?
The IUPAC name of 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane (CID 168924257) is 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane?
The canonical SMILES for 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane is CC.CCCCC(Cc1ccc2occc2c1)NC.CNC(Cc1ccc2occc2c1)C1CC1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane?
The InChIKey is IGTUFJGXPPZBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C14H17NO.C2H6/c1-3-4-5-14(16-2)11-12-6-7-15-13(10-12)8-9-17-15;1-15-13(11-3-4-11)9-10-2-5-14-12(8-10)6-7-16-14;1-2/h6-10,14,16H,3-5,11H2,1-2H3;2,5-8,11,13,15H,3-4,9H2,1H3;1-2H3.
What are the key properties of 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane?
2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane has a molecular weight of 476.71 g/mol, XLogP of 7.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane is sourced from PubChem (CID 168924257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).