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

C16H23NO — CID 104544359

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H23NO/c1-2-8-17-15-5-3-13(11-15)12-4-6-16-14(10-12)7-9-18-16/h4,6,10,13,15,17H,2-3,5,7-9,11H2,1H3
InChIKeyAAQDXKBVEAQDOF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.26
Rot. Bonds4

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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine (PubChem CID 104544359) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
PubChem CID104544359
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H23NO/c1-2-8-17-15-5-3-13(11-15)12-4-6-16-14(10-12)7-9-18-16/h4,6,10,13,15,17H,2-3,5,7-9,11H2,1H3
InChIKeyAAQDXKBVEAQDOF-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
CID 104544363
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
CID 104544128
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
CID 65441666
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 104544406
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65308356
3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560968
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methylsulfonylphenyl)cyclopentan-1-amine
CID 77407497
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 115479129
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine (CID 104544359) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine is CCCNC1CCC(c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine?
The InChIKey is AAQDXKBVEAQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-8-17-15-5-3-13(11-15)12-4-6-16-14(10-12)7-9-18-16/h4,6,10,13,15,17H,2-3,5,7-9,11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.26, 4 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-propylcyclopentan-1-amine is sourced from PubChem (CID 104544359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).