3-(2-fluorophenyl)-4-(hexylamino)butanal

C16H24FNO — CID 170080548

IUPAC3-(2-fluorophenyl)-4-(hexylamino)butanal
SMILESCCCCCCNCC(CC=O)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-2-3-4-7-11-18-13-14(10-12-19)15-8-5-6-9-16(15)17/h5-6,8-9,12,14,18H,2-4,7,10-11,13H2,1H3
InChIKeyREMDMISICDZVGM-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.67
Rot. Bonds10

About 3-(2-fluorophenyl)-4-(hexylamino)butanal

3-(2-fluorophenyl)-4-(hexylamino)butanal (PubChem CID 170080548) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-(hexylamino)butanal.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-(hexylamino)butanal
PubChem CID170080548
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-(2-fluorophenyl)-4-(hexylamino)butanal
SMILESCCCCCCNCC(CC=O)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-2-3-4-7-11-18-13-14(10-12-19)15-8-5-6-9-16(15)17/h5-6,8-9,12,14,18H,2-4,7,10-11,13H2,1H3
InChIKeyREMDMISICDZVGM-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-methyldodecan-1-amine
CID 79435505
N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
CID 4711979
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
3-ethoxy-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 103984843
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905464
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
3-fluoro-3-(2-fluorophenyl)propanal
CID 105434362

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-(hexylamino)butanal?
The IUPAC name of 3-(2-fluorophenyl)-4-(hexylamino)butanal (CID 170080548) is 3-(2-fluorophenyl)-4-(hexylamino)butanal.
What is the SMILES notation for 3-(2-fluorophenyl)-4-(hexylamino)butanal?
The canonical SMILES for 3-(2-fluorophenyl)-4-(hexylamino)butanal is CCCCCCNCC(CC=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-(hexylamino)butanal?
The InChIKey is REMDMISICDZVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-3-4-7-11-18-13-14(10-12-19)15-8-5-6-9-16(15)17/h5-6,8-9,12,14,18H,2-4,7,10-11,13H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-4-(hexylamino)butanal?
3-(2-fluorophenyl)-4-(hexylamino)butanal has a molecular weight of 265.37 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-(hexylamino)butanal is sourced from PubChem (CID 170080548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).