2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine

C17H25NO — CID 115614307

IUPAC2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
SMILESCC(CNCc1ccc2c(c1)CC(C)(C)O2)C1CC1
InChIInChI=1S/C17H25NO/c1-12(14-5-6-14)10-18-11-13-4-7-16-15(8-13)9-17(2,3)19-16/h4,7-8,12,14,18H,5-6,9-11H2,1-3H3
InChIKeyINVQBSZUBPJIDV-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.54
Rot. Bonds5

About 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine

2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine (PubChem CID 115614307) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
PubChem CID115614307
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
SMILESCC(CNCc1ccc2c(c1)CC(C)(C)O2)C1CC1
InChIInChI=1S/C17H25NO/c1-12(14-5-6-14)10-18-11-13-4-7-16-15(8-13)9-17(2,3)19-16/h4,7-8,12,14,18H,5-6,9-11H2,1-3H3
InChIKeyINVQBSZUBPJIDV-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 78943038
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
3-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115639598
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-1-(4-fluorophenyl)ethanol
CID 119121786
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylsulfanylethanamine
CID 63378459
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 119122037
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-yn-2-amine
CID 114415329
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]prop-2-en-1-amine
CID 115645149
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-en-2-amine
CID 113254593

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine (CID 115614307) is 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine is CC(CNCc1ccc2c(c1)CC(C)(C)O2)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine?
The InChIKey is INVQBSZUBPJIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(14-5-6-14)10-18-11-13-4-7-16-15(8-13)9-17(2,3)19-16/h4,7-8,12,14,18H,5-6,9-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine?
2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 115614307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).