1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine

C15H22N2O3 — CID 16788978

IUPAC1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
SMILESNC(CN1CCOCC1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H22N2O3/c16-13(11-17-4-8-18-9-5-17)12-2-3-14-15(10-12)20-7-1-6-19-14/h2-3,10,13H,1,4-9,11,16H2
InChIKeyWLDSXVPODJICHJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.18
Rot. Bonds3

About 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine (PubChem CID 16788978) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
PubChem CID16788978
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
SMILESNC(CN1CCOCC1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H22N2O3/c16-13(11-17-4-8-18-9-5-17)12-2-3-14-15(10-12)20-7-1-6-19-14/h2-3,10,13H,1,4-9,11,16H2
InChIKeyWLDSXVPODJICHJ-UHFFFAOYSA-N
XLogP1.18
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethane-1,2-diamine
CID 66516964
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115559534
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,3-dimethylbutan-1-amine
CID 43197406
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43613115
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 61441471
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017210
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70826390
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 20747757
2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 43211712
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nonan-1-amine
CID 65447814

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine (CID 16788978) is 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine is NC(CN1CCOCC1)c1ccc2c(c1)OCCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine?
The InChIKey is WLDSXVPODJICHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-13(11-17-4-8-18-9-5-17)12-2-3-14-15(10-12)20-7-1-6-19-14/h2-3,10,13H,1,4-9,11,16H2.
What are the key properties of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine?
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine has a molecular weight of 278.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 16788978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).