N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine

C14H20N2O3 — CID 4719981

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
SMILESc1cc2c(cc1CNCCN1CCOCC1)OCO2
InChIInChI=1S/C14H20N2O3/c1-2-13-14(19-11-18-13)9-12(1)10-15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8,10-11H2
InChIKeyBBTDPYRNQBCTGF-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.84
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine

N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine (PubChem CID 4719981) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
PubChem CID4719981
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
SMILESc1cc2c(cc1CNCCN1CCOCC1)OCO2
InChIInChI=1S/C14H20N2O3/c1-2-13-14(19-11-18-13)9-12(1)10-15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8,10-11H2
InChIKeyBBTDPYRNQBCTGF-UHFFFAOYSA-N
XLogP0.84
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
2-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117088626
zinc;N'-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]ethane-1,2-diamine;dichloride;hydrate
CID 139073879
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoroethanamine
CID 80695679
4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
CID 170870679
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253190
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 115523459
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N'-(1,3-benzodioxol-5-ylmethyl)propane-1,3-diamine
CID 60890082
N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine
CID 4721993

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine (CID 4719981) is N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine is c1cc2c(cc1CNCCN1CCOCC1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine?
The InChIKey is BBTDPYRNQBCTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-13-14(19-11-18-13)9-12(1)10-15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8,10-11H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine?
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine has a molecular weight of 264.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 4719981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).