(2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine

C14H19N5O3 — CID 164908634

IUPAC(2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine
SMILESCCOC(=O)Oc1ccccc1N.Nc1ccc(N)c(N)n1
InChIInChI=1S/C9H11NO3.C5H8N4/c1-2-12-9(11)13-8-6-4-3-5-7(8)10;6-3-1-2-4(7)9-5(3)8/h3-6H,2,10H2,1H3;1-2H,6H2,(H4,7,8,9)
InChIKeyRFZNRIIQNHIMPA-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.63
Rot. Bonds2

About (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine

(2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine (PubChem CID 164908634) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine.

Molecular Properties

Compound Name(2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine
PubChem CID164908634
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine
SMILESCCOC(=O)Oc1ccccc1N.Nc1ccc(N)c(N)n1
InChIInChI=1S/C9H11NO3.C5H8N4/c1-2-12-9(11)13-8-6-4-3-5-7(8)10;6-3-1-2-4(7)9-5(3)8/h3-6H,2,10H2,1H3;1-2H,6H2,(H4,7,8,9)
InChIKeyRFZNRIIQNHIMPA-UHFFFAOYSA-N
XLogP1.63
TPSA152.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(4-methoxyphenyl)azo]pyridine-2,6-diamine
CID 105268
1-(2-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 781181
N-(2-ethoxyphenyl)-6-methylpyridin-2-amine
CID 44404872
N-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-amine
CID 44404873
3-((E)-{4-[2-(Diethylamino)ethoxy]phenyl}diazenyl)pyridine-2,6-diamine
CID 340027
N4-(2-methoxyphenyl)pyrimidine-2,4,5,6-tetramine
CID 390788
2,6-Pyridinediamine, 3-(2-(4-methoxyphenyl)diazenyl)-, hydrochloride (1:1)
CID 105267
6-methoxy-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,5-diamine
CID 43261453
6-methoxy-2-N-[2-(trifluoromethoxy)phenyl]pyridine-2,5-diamine
CID 43261455
2-N-[4-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine
CID 43261796
2-N-[2-(difluoromethoxy)phenyl]-6-ethoxypyridine-2,5-diamine
CID 43261797
2-N-[2-(difluoromethoxy)phenyl]-6-methoxypyridine-2,5-diamine
CID 43261798

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine?
The IUPAC name of (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine (CID 164908634) is (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine.
What is the SMILES notation for (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine?
The canonical SMILES for (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine is CCOC(=O)Oc1ccccc1N.Nc1ccc(N)c(N)n1.
What is the InChIKey of (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine?
The InChIKey is RFZNRIIQNHIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C5H8N4/c1-2-12-9(11)13-8-6-4-3-5-7(8)10;6-3-1-2-4(7)9-5(3)8/h3-6H,2,10H2,1H3;1-2H,6H2,(H4,7,8,9).
What are the key properties of (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine?
(2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine has a molecular weight of 305.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl) ethyl carbonate;pyridine-2,3,6-triamine is sourced from PubChem (CID 164908634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).