2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine

C13H20N2O2 — CID 117039970

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H20N2O2/c1-10(8-14)15(2)9-11-3-4-12-13(7-11)17-6-5-16-12/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKeyKVPJMUWZDVBULM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.24
Rot. Bonds4

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine

2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 117039970) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine
PubChem CID117039970
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H20N2O2/c1-10(8-14)15(2)9-11-3-4-12-13(7-11)17-6-5-16-12/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKeyKVPJMUWZDVBULM-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202644
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 99958125
3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 81070909
1-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913044
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-amine
CID 64664962
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
CID 60938179
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138234
4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
CID 104556834
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 107568834
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111496963

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine (CID 117039970) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is KVPJMUWZDVBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(8-14)15(2)9-11-3-4-12-13(7-11)17-6-5-16-12/h3-4,7,10H,5-6,8-9,14H2,1-2H3.
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine?
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 236.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117039970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).