2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde

C18H21NO2 — CID 86601008

IUPAC2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde
SMILESCc1ccccc1-c1ccc(C=O)c(OCCN(C)C)c1
InChIInChI=1S/C18H21NO2/c1-14-6-4-5-7-17(14)15-8-9-16(13-20)18(12-15)21-11-10-19(2)3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyNVZOJQBKKWDPAJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde

2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde (PubChem CID 86601008) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde
PubChem CID86601008
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde
SMILESCc1ccccc1-c1ccc(C=O)c(OCCN(C)C)c1
InChIInChI=1S/C18H21NO2/c1-14-6-4-5-7-17(14)15-8-9-16(13-20)18(12-15)21-11-10-19(2)3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyNVZOJQBKKWDPAJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737077
2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
CID 87737379
2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde
CID 87737926
5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737104
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
2-(dimethylamino)-N-[3-[3-[2-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)phenyl]prop-2-enoyl]phenyl]acetamide
CID 69218995
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
3-[3-(dimethylamino)propylamino]-5-(2-methylphenyl)benzaldehyde
CID 87559420
2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
CID 163408307
N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
CID 170865946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde (CID 86601008) is 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde is Cc1ccccc1-c1ccc(C=O)c(OCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde?
The InChIKey is NVZOJQBKKWDPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-6-4-5-7-17(14)15-8-9-16(13-20)18(12-15)21-11-10-19(2)3/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde?
2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde has a molecular weight of 283.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde is sourced from PubChem (CID 86601008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).