N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine

C13H18N2O3 — CID 83011765

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine
SMILESc1cc2c(cc1CNN1CCOCC1)OCCO2
InChIInChI=1S/C13H18N2O3/c1-2-12-13(18-8-7-17-12)9-11(1)10-14-15-3-5-16-6-4-15/h1-2,9,14H,3-8,10H2
InChIKeyIDZQAJPHVHBTDA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.79
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine (PubChem CID 83011765) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine
PubChem CID83011765
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine
SMILESc1cc2c(cc1CNN1CCOCC1)OCCO2
InChIInChI=1S/C13H18N2O3/c1-2-12-13(18-8-7-17-12)9-11(1)10-14-15-3-5-16-6-4-15/h1-2,9,14H,3-8,10H2
InChIKeyIDZQAJPHVHBTDA-UHFFFAOYSA-N
XLogP0.79
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675675
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethylpyrrol-1-amine
CID 79090148
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 39447919
N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride
CID 17221797
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylaniline
CID 755929

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine (CID 83011765) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine is c1cc2c(cc1CNN1CCOCC1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine?
The InChIKey is IDZQAJPHVHBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-12-13(18-8-7-17-12)9-11(1)10-14-15-3-5-16-6-4-15/h1-2,9,14H,3-8,10H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine has a molecular weight of 250.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine is sourced from PubChem (CID 83011765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).