2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane

C12H20ClNO2 — CID 145491899

IUPAC2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane
SMILESCC.COC.Cc1cc(Cl)c(N)c(C=O)c1
InChIInChI=1S/C8H8ClNO.C2H6O.C2H6/c1-5-2-6(4-11)8(10)7(9)3-5;1-3-2;1-2/h2-4H,10H2,1H3;1-2H3;1-2H3
InChIKeyWDWYOEZTIMGIDQ-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.33
Rot. Bonds1

About 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane

2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane (PubChem CID 145491899) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane.

Molecular Properties

Compound Name2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane
PubChem CID145491899
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane
SMILESCC.COC.Cc1cc(Cl)c(N)c(C=O)c1
InChIInChI=1S/C8H8ClNO.C2H6O.C2H6/c1-5-2-6(4-11)8(10)7(9)3-5;1-3-2;1-2/h2-4H,10H2,1H3;1-2H3;1-2H3
InChIKeyWDWYOEZTIMGIDQ-UHFFFAOYSA-N
XLogP3.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-methylaniline;ethane
CID 143233725
3-chloro-2-fluoro-5-methylbenzaldehyde
CID 84654476
CID 176997337
CID 176997337
3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde
CID 167716378
(4-amino-3,5-dichlorophenyl) formate
CID 174892330
5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
CID 143926582
2-amino-5-bromo-3-methoxybenzaldehyde
CID 15380445
4,5,6-triaminobenzene-1,3-dicarbaldehyde
CID 2750253
(2-chloro-3-formyl-5-methylphenyl)boronic acid
CID 164890745
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
methyl 4-amino-3-bromo-2-chloro-5-formylbenzoate
CID 139334042

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane?
The IUPAC name of 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane (CID 145491899) is 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane.
What is the SMILES notation for 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane?
The canonical SMILES for 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane is CC.COC.Cc1cc(Cl)c(N)c(C=O)c1.
What is the InChIKey of 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane?
The InChIKey is WDWYOEZTIMGIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.C2H6O.C2H6/c1-5-2-6(4-11)8(10)7(9)3-5;1-3-2;1-2/h2-4H,10H2,1H3;1-2H3;1-2H3.
What are the key properties of 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane?
2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane has a molecular weight of 245.75 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane is sourced from PubChem (CID 145491899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).