N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine

C16H21NO — CID 61223383

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCCc1oc2ccccc2c1CNC1CC1(C)C
InChIInChI=1S/C16H21NO/c1-4-13-12(10-17-15-9-16(15,2)3)11-7-5-6-8-14(11)18-13/h5-8,15,17H,4,9-10H2,1-3H3
InChIKeyKCNVEZUTGSMCLI-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.88
Rot. Bonds4

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 61223383) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID61223383
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCCc1oc2ccccc2c1CNC1CC1(C)C
InChIInChI=1S/C16H21NO/c1-4-13-12(10-17-15-9-16(15,2)3)11-7-5-6-8-14(11)18-13/h5-8,15,17H,4,9-10H2,1-3H3
InChIKeyKCNVEZUTGSMCLI-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485353
2-[[(2,2-dimethylcyclopropyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103244121
3-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 64921153
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol
CID 62523800

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine (CID 61223383) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine is CCc1oc2ccccc2c1CNC1CC1(C)C.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is KCNVEZUTGSMCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-13-12(10-17-15-9-16(15,2)3)11-7-5-6-8-14(11)18-13/h5-8,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 61223383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).