1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C17H24ClNO2 — CID 66476106

IUPAC1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cc2c(cc1Cl)OCCO2)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H24ClNO2/c1-16(2)15(17(16,3)4)14(19-5)10-8-12-13(9-11(10)18)21-7-6-20-12/h8-9,14-15,19H,6-7H2,1-5H3
InChIKeyRSJBULKMQZMOML-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.05
Rot. Bonds3

About 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 66476106) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID66476106
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cc2c(cc1Cl)OCCO2)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H24ClNO2/c1-16(2)15(17(16,3)4)14(19-5)10-8-12-13(9-11(10)18)21-7-6-20-12/h8-9,14-15,19H,6-7H2,1-5H3
InChIKeyRSJBULKMQZMOML-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177289
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476105
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825030
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoro-N-methylethanamine
CID 105424177
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476866
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107960693
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 61096362
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N,3-dimethylpentan-1-amine
CID 114874266
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
[2,3-dihydro-1,4-benzodioxin-6-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105301064

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 66476106) is 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CNC(c1cc2c(cc1Cl)OCCO2)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is RSJBULKMQZMOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-16(2)15(17(16,3)4)14(19-5)10-8-12-13(9-11(10)18)21-7-6-20-12/h8-9,14-15,19H,6-7H2,1-5H3.
What are the key properties of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 309.84 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 66476106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).