N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine

C14H20N2O3 — CID 115237974

IUPACN,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine
SMILESCc1cc2c(cc1N(C)CC1COCCN1)OCO2
InChIInChI=1S/C14H20N2O3/c1-10-5-13-14(19-9-18-13)6-12(10)16(2)7-11-8-17-4-3-15-11/h5-6,11,15H,3-4,7-9H2,1-2H3
InChIKeySAFKVPAZVDOSTE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.15
Rot. Bonds3

About N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine

N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine (PubChem CID 115237974) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine
PubChem CID115237974
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine
SMILESCc1cc2c(cc1N(C)CC1COCCN1)OCO2
InChIInChI=1S/C14H20N2O3/c1-10-5-13-14(19-9-18-13)6-12(10)16(2)7-11-8-17-4-3-15-11/h5-6,11,15H,3-4,7-9H2,1-2H3
InChIKeySAFKVPAZVDOSTE-UHFFFAOYSA-N
XLogP1.15
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115208211
N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115208180
N,6-dimethyl-N-(morpholin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237589
7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115237864
N-methyl-N-(morpholin-3-ylmethyl)-1H-indol-3-amine
CID 115237942
1-N-methyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115196459
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
N-(2-chloroethyl)-N,6-dimethyl-1,3-benzodioxol-5-amine
CID 115214776
N',2-dimethyl-N'-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 115198438
3-N-methyl-3-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2,3-triamine
CID 115119619
4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237955
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
CID 117044833

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine?
The IUPAC name of N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine (CID 115237974) is N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine is Cc1cc2c(cc1N(C)CC1COCCN1)OCO2.
What is the InChIKey of N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine?
The InChIKey is SAFKVPAZVDOSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-13-14(19-9-18-13)6-12(10)16(2)7-11-8-17-4-3-15-11/h5-6,11,15H,3-4,7-9H2,1-2H3.
What are the key properties of N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine?
N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine has a molecular weight of 264.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 115237974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).