ethanol;formaldehyde;3-methylaniline;molecular hydrogen

C10H19NO2 — CID 144555408

IUPACethanol;formaldehyde;3-methylaniline;molecular hydrogen
SMILESC=O.CCO.Cc1cccc(N)c1.[H][H]
InChIInChI=1S/C7H9N.C2H6O.CH2O.H2/c1-6-3-2-4-7(8)5-6;1-2-3;1-2;/h2-5H,8H2,1H3;3H,2H2,1H3;1H2;1H
InChIKeyQVCOFFNDKFHUQS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.64
Rot. Bonds

About ethanol;formaldehyde;3-methylaniline;molecular hydrogen

ethanol;formaldehyde;3-methylaniline;molecular hydrogen (PubChem CID 144555408) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethanol;formaldehyde;3-methylaniline;molecular hydrogen.

Molecular Properties

Compound Nameethanol;formaldehyde;3-methylaniline;molecular hydrogen
PubChem CID144555408
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethanol;formaldehyde;3-methylaniline;molecular hydrogen
SMILESC=O.CCO.Cc1cccc(N)c1.[H][H]
InChIInChI=1S/C7H9N.C2H6O.CH2O.H2/c1-6-3-2-4-7(8)5-6;1-2-3;1-2;/h2-5H,8H2,1H3;3H,2H2,1H3;1H2;1H
InChIKeyQVCOFFNDKFHUQS-UHFFFAOYSA-N
XLogP1.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanol;formaldehyde;3-methylaniline;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

3-methylaniline
CID 7934
ethane;ethene;3-methylaniline
CID 145478894
3-methylaniline chloride
CID 23334103
3-methylaniline;sulfurous acid
CID 70507221
acetic acid;ethane;3-methylaniline
CID 142238928
bis(3-methylaniline);sulfuric acid;dihydrate
CID 172789732
aniline;3-methylaniline
CID 70490422
copper;bis(3-methylaniline);oxalate
CID 3044027
but-1-yne;3-methylaniline
CID 158449016
ethane;propane;1,3-xylene
CID 144528046
3-methylaniline;styrene
CID 174647241
cyclohexane;3-methylaniline;2-methylbutanal;propane
CID 142171547

Frequently Asked Questions

What is the IUPAC name of ethanol;formaldehyde;3-methylaniline;molecular hydrogen?
The IUPAC name of ethanol;formaldehyde;3-methylaniline;molecular hydrogen (CID 144555408) is ethanol;formaldehyde;3-methylaniline;molecular hydrogen.
What is the SMILES notation for ethanol;formaldehyde;3-methylaniline;molecular hydrogen?
The canonical SMILES for ethanol;formaldehyde;3-methylaniline;molecular hydrogen is C=O.CCO.Cc1cccc(N)c1.[H][H].
What is the InChIKey of ethanol;formaldehyde;3-methylaniline;molecular hydrogen?
The InChIKey is QVCOFFNDKFHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H6O.CH2O.H2/c1-6-3-2-4-7(8)5-6;1-2-3;1-2;/h2-5H,8H2,1H3;3H,2H2,1H3;1H2;1H.
What are the key properties of ethanol;formaldehyde;3-methylaniline;molecular hydrogen?
ethanol;formaldehyde;3-methylaniline;molecular hydrogen has a molecular weight of 185.27 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;formaldehyde;3-methylaniline;molecular hydrogen is sourced from PubChem (CID 144555408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).