2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine

C16H17Cl2NO2 — CID 23291615

IUPAC2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCN)cc1.O=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H13NO.C7H4Cl2O/c1-11-9-4-2-8(3-5-9)6-7-10;8-6-2-1-5(4-10)7(9)3-6/h2-5H,6-7,10H2,1H3;1-4H
InChIKeyAPENKFSBRFLASW-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.00
Rot. Bonds4

About 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine

2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine (PubChem CID 23291615) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine
PubChem CID23291615
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCN)cc1.O=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H13NO.C7H4Cl2O/c1-11-9-4-2-8(3-5-9)6-7-10;8-6-2-1-5(4-10)7(9)3-6/h2-5H,6-7,10H2,1H3;1-4H
InChIKeyAPENKFSBRFLASW-UHFFFAOYSA-N
XLogP4.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 114844824
5-[(2,4-dichlorophenyl)methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515022
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde
CID 23291631
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114886007
2-chloro-4-ethylbenzaldehyde
CID 14687915
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine (CID 23291615) is 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine is COc1ccc(CCN)cc1.O=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine?
The InChIKey is APENKFSBRFLASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C7H4Cl2O/c1-11-9-4-2-8(3-5-9)6-7-10;8-6-2-1-5(4-10)7(9)3-6/h2-5H,6-7,10H2,1H3;1-4H.
What are the key properties of 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine?
2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine has a molecular weight of 326.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 23291615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).