N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine

C14H20N2O2 — CID 65384605

IUPACN-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
SMILESNCC(NCC1CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O2/c15-8-12(16-9-10-1-2-10)11-3-4-13-14(7-11)18-6-5-17-13/h3-4,7,10,12,16H,1-2,5-6,8-9,15H2
InChIKeyZUIKZWYJPGIIAD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.46
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine

N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine (PubChem CID 65384605) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
PubChem CID65384605
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
SMILESNCC(NCC1CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O2/c15-8-12(16-9-10-1-2-10)11-3-4-13-14(7-11)18-6-5-17-13/h3-4,7,10,12,16H,1-2,5-6,8-9,15H2
InChIKeyZUIKZWYJPGIIAD-UHFFFAOYSA-N
XLogP1.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65385023
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylethane-1,2-diamine
CID 55030455
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-prop-2-ynylethane-1,2-diamine
CID 65380967
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466498
N-(cyclopropylmethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65385455
N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65385030
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616090
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017210
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266193
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine (CID 65384605) is N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine is NCC(NCC1CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine?
The InChIKey is ZUIKZWYJPGIIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-8-12(16-9-10-1-2-10)11-3-4-13-14(7-11)18-6-5-17-13/h3-4,7,10,12,16H,1-2,5-6,8-9,15H2.
What are the key properties of N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 65384605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).