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

C17H25NO — CID 104544363

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H25NO/c1-2-18-16-6-4-3-5-13(12-16)14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16,18H,2-6,9-10,12H2,1H3
InChIKeyMHDRGNNFBRJASY-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.65
Rot. Bonds3

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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine (PubChem CID 104544363) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
PubChem CID104544363
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H25NO/c1-2-18-16-6-4-3-5-13(12-16)14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16,18H,2-6,9-10,12H2,1H3
InChIKeyMHDRGNNFBRJASY-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
CID 104544359
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 104544406
3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
CID 107560967
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
CID 104544128
3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine
CID 114520158
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
CID 65441666
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde
CID 90752035
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine (CID 104544363) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine is CCNC1CCCCC(c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine?
The InChIKey is MHDRGNNFBRJASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-18-16-6-4-3-5-13(12-16)14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16,18H,2-6,9-10,12H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.65, 3 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)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 104544363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).