N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine

C14H19NO — CID 83486317

IUPACN-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCC1(C)Cc2cc(NC3CCC3)ccc2O1
InChIInChI=1S/C14H19NO/c1-14(2)9-10-8-12(6-7-13(10)16-14)15-11-4-3-5-11/h6-8,11,15H,3-5,9H2,1-2H3
InChIKeyRDBDRPVVTDVMBP-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.36
Rot. Bonds2

About N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine

N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine (PubChem CID 83486317) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine
PubChem CID83486317
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCC1(C)Cc2cc(NC3CCC3)ccc2O1
InChIInChI=1S/C14H19NO/c1-14(2)9-10-8-12(6-7-13(10)16-14)15-11-4-3-5-11/h6-8,11,15H,3-5,9H2,1-2H3
InChIKeyRDBDRPVVTDVMBP-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
CID 63505070
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 55061675
N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65306067
2,2-difluoro-N-(4-methylcycloheptyl)-1,3-benzodioxol-5-amine
CID 65080837
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 10569963
N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide
CID 119129103
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
(2S)-2-(2,2-dimethyl-3H-1-benzofuran-5-yl)aziridine
CID 55262434
N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888739
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015238
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104587767
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine
CID 80717280

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine?
The IUPAC name of N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine (CID 83486317) is N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine is CC1(C)Cc2cc(NC3CCC3)ccc2O1.
What is the InChIKey of N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine?
The InChIKey is RDBDRPVVTDVMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)9-10-8-12(6-7-13(10)16-14)15-11-4-3-5-11/h6-8,11,15H,3-5,9H2,1-2H3.
What are the key properties of N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine?
N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine has a molecular weight of 217.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2,2-dimethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 83486317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).