5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde

C16H17NO2 — CID 54912342

IUPAC5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2ccc(N(C)C)cc2)cc1C=O
InChIInChI=1S/C16H17NO2/c1-17(2)15-7-4-12(5-8-15)13-6-9-16(19-3)14(10-13)11-18/h4-11H,1-3H3
InChIKeyJJUNZFMSJLMEAM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.24
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde

5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde (PubChem CID 54912342) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
PubChem CID54912342
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2ccc(N(C)C)cc2)cc1C=O
InChIInChI=1S/C16H17NO2/c1-17(2)15-7-4-12(5-8-15)13-6-9-16(19-3)14(10-13)11-18/h4-11H,1-3H3
InChIKeyJJUNZFMSJLMEAM-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.24
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

N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
CID 58902871
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde
CID 89357003
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
2-methoxy-5-(thiadiazol-4-yl)benzaldehyde
CID 22620096
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde (CID 54912342) is 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde is COc1ccc(-c2ccc(N(C)C)cc2)cc1C=O.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde?
The InChIKey is JJUNZFMSJLMEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(2)15-7-4-12(5-8-15)13-6-9-16(19-3)14(10-13)11-18/h4-11H,1-3H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde?
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde is sourced from PubChem (CID 54912342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).