2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde

C13H16FNO2 — CID 54946669

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
SMILESCOCCN(c1ccc(F)cc1C=O)C1CC1
InChIInChI=1S/C13H16FNO2/c1-17-7-6-15(12-3-4-12)13-5-2-11(14)8-10(13)9-16/h2,5,8-9,12H,3-4,6-7H2,1H3
InChIKeyPXSIVEJXVYWEMV-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.25
Rot. Bonds6

About 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde

2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde (PubChem CID 54946669) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
PubChem CID54946669
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
SMILESCOCCN(c1ccc(F)cc1C=O)C1CC1
InChIInChI=1S/C13H16FNO2/c1-17-7-6-15(12-3-4-12)13-5-2-11(14)8-10(13)9-16/h2,5,8-9,12H,3-4,6-7H2,1H3
InChIKeyPXSIVEJXVYWEMV-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde 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

3-(N-cyclopropyl-4-fluoro-2-formylanilino)propanenitrile
CID 54997247
2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63674892
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
CID 54999779
5-chloro-2-[cyclopropyl(2-methoxyethyl)amino]benzoic acid
CID 55139261
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline
CID 54946681
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680
2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline
CID 61450425
[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
CID 55040023
2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
CID 43313053
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde (CID 54946669) is 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde is COCCN(c1ccc(F)cc1C=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde?
The InChIKey is PXSIVEJXVYWEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-7-6-15(12-3-4-12)13-5-2-11(14)8-10(13)9-16/h2,5,8-9,12H,3-4,6-7H2,1H3.
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde?
2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde has a molecular weight of 237.27 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde is sourced from PubChem (CID 54946669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).