4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde

C13H16F3NO2 — CID 112754479

IUPAC4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde
SMILESCOC(C)CN(C)c1ccc(C=O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-9(19-3)7-17(2)11-5-4-10(8-18)12(6-11)13(14,15)16/h4-6,8-9H,7H2,1-3H3
InChIKeyFCRWVOYDMANPDN-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.99
Rot. Bonds5

About 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde

4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde (PubChem CID 112754479) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde
PubChem CID112754479
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde
SMILESCOC(C)CN(C)c1ccc(C=O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-9(19-3)7-17(2)11-5-4-10(8-18)12(6-11)13(14,15)16/h4-6,8-9H,7H2,1-3H3
InChIKeyFCRWVOYDMANPDN-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde 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

1-N,4-N-bis(2-methoxypropyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 70177218
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-(trifluoromethyl)benzaldehyde
CID 114950069
4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde
CID 139026919
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline
CID 81053579
methyl 2-[4-[4-fluoro-N-methyl-3-(trifluoromethyl)anilino]butan-2-yloxy]acetate
CID 70944531
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzaldehyde
CID 115942150
4-[methyl(2-methylbutyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339171
1-[5-[2-methoxypropyl(methyl)amino]-2-nitrophenyl]ethanone
CID 112754463
4-methylsulfonyl-2-(trifluoromethyl)benzaldehyde
CID 51342018
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)benzaldehyde
CID 10870668
1-[3-amino-N-methyl-5-(trifluoromethyl)anilino]propan-2-yl formate
CID 134408954
4-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methyl-3-(trifluoromethyl)aniline
CID 107082381

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde (CID 112754479) is 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde is COC(C)CN(C)c1ccc(C=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde?
The InChIKey is FCRWVOYDMANPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(19-3)7-17(2)11-5-4-10(8-18)12(6-11)13(14,15)16/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde?
4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde has a molecular weight of 275.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxypropyl(methyl)amino]-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 112754479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).