2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine

C26H30N4O2 — CID 158295759

IUPAC2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine
SMILESNCc1ccc2c(c1)OCCO2.NCc1ccc2ncccc2c1.NCc1ccccc1
InChIInChI=1S/C10H10N2.C9H11NO2.C7H9N/c11-7-8-3-4-10-9(6-8)2-1-5-12-10;10-6-7-1-2-8-9(5-7)12-4-3-11-8;8-6-7-4-2-1-3-5-7/h1-6H,7,11H2;1-2,5H,3-4,6,10H2;1-5H,6,8H2
InChIKeyGLWRTYBNXDBCKF-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.76
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine

2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine (PubChem CID 158295759) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine
PubChem CID158295759
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine
SMILESNCc1ccc2c(c1)OCCO2.NCc1ccc2ncccc2c1.NCc1ccccc1
InChIInChI=1S/C10H10N2.C9H11NO2.C7H9N/c11-7-8-3-4-10-9(6-8)2-1-5-12-10;10-6-7-1-2-8-9(5-7)12-4-3-11-8;8-6-7-4-2-1-3-5-7/h1-6H,7,11H2;1-2,5H,3-4,6,10H2;1-5H,6,8H2
InChIKeyGLWRTYBNXDBCKF-UHFFFAOYSA-N
XLogP3.76
TPSA109.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine with MolForge

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Related Compounds

ethane;ethylbenzene;6-ethylquinoline
CID 143817758
[1-(quinolin-6-ylmethyl)cyclopropyl]methanamine
CID 116997369
7-(morpholin-4-ylmethyl)-4-(quinolin-6-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 126465228
6-(1,3-dioxolan-2-ylmethyl)quinoline
CID 165178213
2-phenyl-3-quinolin-6-ylpropan-1-amine
CID 81222399
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 107655742
[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630181
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(quinoline-6-carbonylamino)thiourea
CID 20850778
quinoline-6-carbonitrile;quinoline-6-carboxamide;quinoline-6-carboxylic acid;quinolin-6-ylmethanamine
CID 161125670
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine (CID 158295759) is 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine is NCc1ccc2c(c1)OCCO2.NCc1ccc2ncccc2c1.NCc1ccccc1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine?
The InChIKey is GLWRTYBNXDBCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C9H11NO2.C7H9N/c11-7-8-3-4-10-9(6-8)2-1-5-12-10;10-6-7-1-2-8-9(5-7)12-4-3-11-8;8-6-7-4-2-1-3-5-7/h1-6H,7,11H2;1-2,5H,3-4,6,10H2;1-5H,6,8H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine?
2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine has a molecular weight of 430.55 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine is sourced from PubChem (CID 158295759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).