3-(4-fluorophenyl)-4-(methylamino)butanal

C11H14FNO — CID 59011239

IUPAC3-(4-fluorophenyl)-4-(methylamino)butanal
SMILESCNCC(CC=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-13-8-10(6-7-14)9-2-4-11(12)5-3-9/h2-5,7,10,13H,6,8H2,1H3
InChIKeyLKORPFGTKQZVJE-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.72
Rot. Bonds5

About 3-(4-fluorophenyl)-4-(methylamino)butanal

3-(4-fluorophenyl)-4-(methylamino)butanal (PubChem CID 59011239) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(methylamino)butanal.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(methylamino)butanal
PubChem CID59011239
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-(4-fluorophenyl)-4-(methylamino)butanal
SMILESCNCC(CC=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-13-8-10(6-7-14)9-2-4-11(12)5-3-9/h2-5,7,10,13H,6,8H2,1H3
InChIKeyLKORPFGTKQZVJE-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-methylpent-4-en-1-amine
CID 18354439
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 114933725
3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
3-(4-chlorophenyl)-4-(ethylamino)butanal
CID 89108234
(3S)-3-(4-fluorophenyl)-4-nitrobutanal;sulfane
CID 159653102
4-(methylamino)-3-[3-(trifluoromethoxy)phenyl]butanal
CID 170080547
(3,4-difluorophenyl)urea;3-(4-methoxyphenyl)-4-(methylamino)butanal
CID 144851545
3-bromo-3-(4-fluorophenyl)propanal
CID 87206110
3-(4-ethylphenyl)-4-(methylamino)butanal;phenylmethanamine;prop-1-ene
CID 142352450

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(methylamino)butanal?
The IUPAC name of 3-(4-fluorophenyl)-4-(methylamino)butanal (CID 59011239) is 3-(4-fluorophenyl)-4-(methylamino)butanal.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(methylamino)butanal?
The canonical SMILES for 3-(4-fluorophenyl)-4-(methylamino)butanal is CNCC(CC=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(methylamino)butanal?
The InChIKey is LKORPFGTKQZVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-13-8-10(6-7-14)9-2-4-11(12)5-3-9/h2-5,7,10,13H,6,8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-(methylamino)butanal?
3-(4-fluorophenyl)-4-(methylamino)butanal has a molecular weight of 195.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(methylamino)butanal is sourced from PubChem (CID 59011239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).