1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine

C11H13NO — CID 82411137

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine
SMILESNC1(c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C11H13NO/c12-11(3-4-11)10-2-1-8-6-13-7-9(8)5-10/h1-2,5H,3-4,6-7,12H2
InChIKeySYRMOPQYNLDBPB-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.66
Rot. Bonds1

About 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine (PubChem CID 82411137) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine
PubChem CID82411137
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine
SMILESNC1(c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C11H13NO/c12-11(3-4-11)10-2-1-8-6-13-7-9(8)5-10/h1-2,5H,3-4,6-7,12H2
InChIKeySYRMOPQYNLDBPB-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine
CID 82608600
1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 59129550
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine
CID 175562301
1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride
CID 47002851
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 82404450
4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol
CID 84771858
1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
CID 117334916
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-naphthalen-2-ylcyclopropan-1-amine
CID 12982597
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine
CID 84784940
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine (CID 82411137) is 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine is NC1(c2ccc3c(c2)COC3)CC1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine?
The InChIKey is SYRMOPQYNLDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-11(3-4-11)10-2-1-8-6-13-7-9(8)5-10/h1-2,5H,3-4,6-7,12H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 82411137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).