3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine

C19H29NO — CID 65441666

IUPAC3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C19H29NO/c1-2-11-20-18-5-3-4-15(14-18)6-7-16-8-9-19-17(13-16)10-12-21-19/h8-9,13,15,18,20H,2-7,10-12,14H2,1H3
InChIKeyWKUQOSHLECPSAG-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.11
Rot. Bonds6

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

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine (PubChem CID 65441666) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
PubChem CID65441666
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C19H29NO/c1-2-11-20-18-5-3-4-15(14-18)6-7-16-8-9-19-17(13-16)10-12-21-19/h8-9,13,15,18,20H,2-7,10-12,14H2,1H3
InChIKeyWKUQOSHLECPSAG-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
CID 65443648
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
CID 104544359
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65308356
N-[[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 81028517
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65431787
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxycyclopentan-1-amine
CID 65446730
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcyclohexan-1-one
CID 79417676
1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111826609

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine (CID 65441666) is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine is CCCNC1CCCC(CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine?
The InChIKey is WKUQOSHLECPSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-11-20-18-5-3-4-15(14-18)6-7-16-8-9-19-17(13-16)10-12-21-19/h8-9,13,15,18,20H,2-7,10-12,14H2,1H3.
What are the key properties of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine?
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 65441666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).