1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine

C14H19NO — CID 105471600

IUPAC1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
SMILESCC1Cc2cc(CCC3(N)CC3)ccc2O1
InChIInChI=1S/C14H19NO/c1-10-8-12-9-11(2-3-13(12)16-10)4-5-14(15)6-7-14/h2-3,9-10H,4-8,15H2,1H3
InChIKeyYBFICOPXZBUYDQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine

1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine (PubChem CID 105471600) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
PubChem CID105471600
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
SMILESCC1Cc2cc(CCC3(N)CC3)ccc2O1
InChIInChI=1S/C14H19NO/c1-10-8-12-9-11(2-3-13(12)16-10)4-5-14(15)6-7-14/h2-3,9-10H,4-8,15H2,1H3
InChIKeyYBFICOPXZBUYDQ-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 82404450
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CID 84770407
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 65303126
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203213
N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine
CID 65305644
(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 104868177
(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 124930456
1-[2-(4H-1,3-benzodioxin-7-yl)ethyl]cyclopropan-1-amine
CID 105474174
1-(2-naphthalen-2-ylethyl)cyclopropan-1-amine
CID 23106122
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine (CID 105471600) is 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine is CC1Cc2cc(CCC3(N)CC3)ccc2O1.
What is the InChIKey of 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine?
The InChIKey is YBFICOPXZBUYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-8-12-9-11(2-3-13(12)16-10)4-5-14(15)6-7-14/h2-3,9-10H,4-8,15H2,1H3.
What are the key properties of 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine?
1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105471600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).