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

C15H19NO — CID 107383052

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
SMILESNC1C=C(c2ccc3c(c2)CCO3)CCCC1
InChIInChI=1S/C15H19NO/c16-14-4-2-1-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h5-6,9-10,14H,1-4,7-8,16H2
InChIKeyBDGRZFFOHARBRB-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.91
Rot. Bonds1

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

3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine (PubChem CID 107383052) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
PubChem CID107383052
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
SMILESNC1C=C(c2ccc3c(c2)CCO3)CCCC1
InChIInChI=1S/C15H19NO/c16-14-4-2-1-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h5-6,9-10,14H,1-4,7-8,16H2
InChIKeyBDGRZFFOHARBRB-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran
CID 104544423
3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532675
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]cyclooctan-1-amine
CID 120892331
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 84609820

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine (CID 107383052) is 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine is NC1C=C(c2ccc3c(c2)CCO3)CCCC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine?
The InChIKey is BDGRZFFOHARBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c16-14-4-2-1-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h5-6,9-10,14H,1-4,7-8,16H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine is sourced from PubChem (CID 107383052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).