N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine

C16H21N3O2 — CID 106557556

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H21N3O2/c1-2-8-19-9-7-18-16(19)17-6-5-13-3-4-14-15(12-13)21-11-10-20-14/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3,(H,17,18)
InChIKeyHDRSNYLUNZVPNA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.72
Rot. Bonds6

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine (PubChem CID 106557556) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine
PubChem CID106557556
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H21N3O2/c1-2-8-19-9-7-18-16(19)17-6-5-13-3-4-14-15(12-13)21-11-10-20-14/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3,(H,17,18)
InChIKeyHDRSNYLUNZVPNA-UHFFFAOYSA-N
XLogP2.72
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
CID 104539752
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271428
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62962812
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60647897
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methylpyridin-2-amine
CID 60876054
4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80771958
3,6-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037315
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66117366
5-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1H-pyrimidin-6-one
CID 136973683
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 61211853
1-butyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea
CID 115570867
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43093927

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine (CID 106557556) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine is CCCn1ccnc1NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine?
The InChIKey is HDRSNYLUNZVPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-8-19-9-7-18-16(19)17-6-5-13-3-4-14-15(12-13)21-11-10-20-14/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine has a molecular weight of 287.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine is sourced from PubChem (CID 106557556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).