[2-(ethylamino)phenyl]-methyl-methylideneazanium

C10H15N2+ — CID 123469278

IUPAC[2-(ethylamino)phenyl]-methyl-methylideneazanium
SMILESC=[N+](C)c1ccccc1NCC
InChIInChI=1S/C10H15N2/c1-4-11-9-7-5-6-8-10(9)12(2)3/h5-8,11H,2,4H2,1,3H3/q+1
InChIKeyXCGWWDPXJCLFLV-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.09
Rot. Bonds3

About [2-(ethylamino)phenyl]-methyl-methylideneazanium

[2-(ethylamino)phenyl]-methyl-methylideneazanium (PubChem CID 123469278) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is [2-(ethylamino)phenyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[2-(ethylamino)phenyl]-methyl-methylideneazanium
PubChem CID123469278
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name[2-(ethylamino)phenyl]-methyl-methylideneazanium
SMILESC=[N+](C)c1ccccc1NCC
InChIInChI=1S/C10H15N2/c1-4-11-9-7-5-6-8-10(9)12(2)3/h5-8,11H,2,4H2,1,3H3/q+1
InChIKeyXCGWWDPXJCLFLV-UHFFFAOYSA-N
XLogP2.09
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [2-(ethylamino)phenyl]-methyl-methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
CID 175798397
CID 175798397
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
N-ethyl-2-methyl-3-nitroaniline
CID 43425875
N-ethyl-2-[(Z)-prop-1-enyl]aniline
CID 145027913
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
3-(ethylamino)benzene-1,2-diol
CID 69118528
3-ethenyl-N-ethyl-2-nitroaniline
CID 147627108
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-(2-ethylsulfinylethyl)-2-nitroaniline
CID 115626943
N-ethyl-2-nitroaniline;1-heptyl-2-nitrobenzene;2-nitro-N-pentylaniline;1-nitro-2-pentylbenzene;2-nitro-N-propylaniline
CID 167568190
N-ethyl-2-propylsulfonylaniline
CID 43453634

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)phenyl]-methyl-methylideneazanium?
The IUPAC name of [2-(ethylamino)phenyl]-methyl-methylideneazanium (CID 123469278) is [2-(ethylamino)phenyl]-methyl-methylideneazanium.
What is the SMILES notation for [2-(ethylamino)phenyl]-methyl-methylideneazanium?
The canonical SMILES for [2-(ethylamino)phenyl]-methyl-methylideneazanium is C=[N+](C)c1ccccc1NCC.
What is the InChIKey of [2-(ethylamino)phenyl]-methyl-methylideneazanium?
The InChIKey is XCGWWDPXJCLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2/c1-4-11-9-7-5-6-8-10(9)12(2)3/h5-8,11H,2,4H2,1,3H3/q+1.
What are the key properties of [2-(ethylamino)phenyl]-methyl-methylideneazanium?
[2-(ethylamino)phenyl]-methyl-methylideneazanium has a molecular weight of 163.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)phenyl]-methyl-methylideneazanium is sourced from PubChem (CID 123469278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).