(3,4-diethoxyphenyl)methylazanium

C11H18NO2+ — CID 7019296

IUPAC(3,4-diethoxyphenyl)methylazanium
SMILESCCOc1ccc(C[NH3+])cc1OCC
InChIInChI=1S/C11H17NO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8,12H2,1-2H3/p+1
InChIKeyKLDARETZOURFAY-UHFFFAOYSA-O
MW196.27 g/mol
LogP1.23
Rot. Bonds5

About (3,4-diethoxyphenyl)methylazanium

(3,4-diethoxyphenyl)methylazanium (PubChem CID 7019296) has the molecular formula C11H18NO2+ and a molecular weight of 196.27 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)methylazanium.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)methylazanium
PubChem CID7019296
Molecular FormulaC11H18NO2+
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name(3,4-diethoxyphenyl)methylazanium
SMILESCCOc1ccc(C[NH3+])cc1OCC
InChIInChI=1S/C11H17NO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8,12H2,1-2H3/p+1
InChIKeyKLDARETZOURFAY-UHFFFAOYSA-O
XLogP1.23
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diethoxy-4-propylbenzene
CID 3995471
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
(4-butoxy-3-methoxyphenyl)methylazanium
CID 7139463
4-(2-bromobutyl)-1,2-diethoxybenzene
CID 82254956
1,2-diethoxy-4-(3-ethoxypropyl)benzene
CID 142643440
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
2-(3-ethoxy-4-propoxyphenyl)acetaldehyde
CID 82362954
2-(3,4-diethoxyphenyl)ethanimidamide
CID 4071975
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949
4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)methylazanium?
The IUPAC name of (3,4-diethoxyphenyl)methylazanium (CID 7019296) is (3,4-diethoxyphenyl)methylazanium.
What is the SMILES notation for (3,4-diethoxyphenyl)methylazanium?
The canonical SMILES for (3,4-diethoxyphenyl)methylazanium is CCOc1ccc(C[NH3+])cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)methylazanium?
The InChIKey is KLDARETZOURFAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17NO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8,12H2,1-2H3/p+1.
What are the key properties of (3,4-diethoxyphenyl)methylazanium?
(3,4-diethoxyphenyl)methylazanium has a molecular weight of 196.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)methylazanium is sourced from PubChem (CID 7019296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).