N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine

C14H19NO — CID 66360582

IUPACN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
SMILESCc1ccc2c(c1)CC(CNC1CCC1)O2
InChIInChI=1S/C14H19NO/c1-10-5-6-14-11(7-10)8-13(16-14)9-15-12-3-2-4-12/h5-7,12-13,15H,2-4,8-9H2,1H3
InChIKeyODNORGUUEAYDCG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.44
Rot. Bonds3

About N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine (PubChem CID 66360582) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
PubChem CID66360582
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
SMILESCc1ccc2c(c1)CC(CNC1CCC1)O2
InChIInChI=1S/C14H19NO/c1-10-5-6-14-11(7-10)8-13(16-14)9-15-12-3-2-4-12/h5-7,12-13,15H,2-4,8-9H2,1H3
InChIKeyODNORGUUEAYDCG-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
CID 66360581
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106257211
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361
2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine
CID 114108224
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 66360377
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66362796
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine (CID 66360582) is N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine is Cc1ccc2c(c1)CC(CNC1CCC1)O2.
What is the InChIKey of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine?
The InChIKey is ODNORGUUEAYDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-5-6-14-11(7-10)8-13(16-14)9-15-12-3-2-4-12/h5-7,12-13,15H,2-4,8-9H2,1H3.
What are the key properties of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine?
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine has a molecular weight of 217.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 66360582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).