4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen

C11H19NO — CID 145302198

IUPAC4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
SMILESCCNc1ccc(COCC)cc1.[H][H]
InChIInChI=1S/C11H17NO.H2/c1-3-12-11-7-5-10(6-8-11)9-13-4-2;/h5-8,12H,3-4,9H2,1-2H3;1H
InChIKeyGHNUCEILZKPRMJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.90
Rot. Bonds5

About 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen

4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen (PubChem CID 145302198) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen.

Molecular Properties

Compound Name4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
PubChem CID145302198
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
SMILESCCNc1ccc(COCC)cc1.[H][H]
InChIInChI=1S/C11H17NO.H2/c1-3-12-11-7-5-10(6-8-11)9-13-4-2;/h5-8,12H,3-4,9H2,1-2H3;1H
InChIKeyGHNUCEILZKPRMJ-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen 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

Ethyl 4-(butylamino)benzoate
CID 66746
4-[5-(Chloromethyl)-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
CID 595212
Ethyl 4-(hexylamino)benzoate
CID 43087812
p-(Dimethylamino)benzyl alcohol acetate
CID 12219162
N-[(4-fluorophenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325418
N-[(4-methylphenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325618
N-[(4-ethylphenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325659
4-[(2S)-morpholin-2-yl]-N-(2-phenylethyl)aniline
CID 68325836
p-Toluidine, alpha-(2-(diethylamino)ethoxy)-
CID 211405
Benzenemethanol, 4-(hexadecylamino)-alpha-(trifluoromethyl)-
CID 3058193
Acetamide, N-(4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl)-
CID 3058195
4-(Methoxymethyl)aniline
CID 15212002

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen?
The IUPAC name of 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen (CID 145302198) is 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen.
What is the SMILES notation for 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen?
The canonical SMILES for 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen is CCNc1ccc(COCC)cc1.[H][H].
What is the InChIKey of 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen?
The InChIKey is GHNUCEILZKPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.H2/c1-3-12-11-7-5-10(6-8-11)9-13-4-2;/h5-8,12H,3-4,9H2,1-2H3;1H.
What are the key properties of 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen?
4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen has a molecular weight of 181.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen is sourced from PubChem (CID 145302198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).