N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine

C12H16ClNO2 — CID 60516856

IUPACN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C12H16ClNO2/c1-3-14(2)6-9-4-11(13)5-10-7-15-8-16-12(9)10/h4-5H,3,6-8H2,1-2H3
InChIKeyPEJLRDAPMYULEG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.66
Rot. Bonds3

About N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine

N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine (PubChem CID 60516856) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
PubChem CID60516856
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C12H16ClNO2/c1-3-14(2)6-9-4-11(13)5-10-7-15-8-16-12(9)10/h4-5H,3,6-8H2,1-2H3
InChIKeyPEJLRDAPMYULEG-UHFFFAOYSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]propan-2-ol
CID 62333763
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686621
6-chloro-8-(ethylsulfanylmethyl)-4H-1,3-benzodioxine
CID 165347689
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-diethylazanium chloride
CID 18528283
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperidin-3-amine
CID 63636434
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
CID 83893022
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 9286967
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium
CID 2804478
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8791765
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485502
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117354002

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine?
The IUPAC name of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine (CID 60516856) is N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine is CCN(C)Cc1cc(Cl)cc2c1OCOC2.
What is the InChIKey of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine?
The InChIKey is PEJLRDAPMYULEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-14(2)6-9-4-11(13)5-10-7-15-8-16-12(9)10/h4-5H,3,6-8H2,1-2H3.
What are the key properties of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine?
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 60516856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).