2-amino-4-(4-fluorophenyl)butanal

C10H12FNO — CID 21195678

IUPAC2-amino-4-(4-fluorophenyl)butanal
SMILESNC(C=O)CCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c11-9-4-1-8(2-5-9)3-6-10(12)7-13/h1-2,4-5,7,10H,3,6,12H2
InChIKeyKUOAVTAKJQFYEI-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-4-(4-fluorophenyl)butanal

2-amino-4-(4-fluorophenyl)butanal (PubChem CID 21195678) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)butanal.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)butanal
PubChem CID21195678
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-amino-4-(4-fluorophenyl)butanal
SMILESNC(C=O)CCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c11-9-4-1-8(2-5-9)3-6-10(12)7-13/h1-2,4-5,7,10H,3,6,12H2
InChIKeyKUOAVTAKJQFYEI-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.28
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

Phenylalanine amide
CID 445694
2-Amino-3-phenylpropanamide
CID 194097
CID 6926425
CID 6926425
Phenylalanine amide hydrochloride
CID 11953719
3-Amino-4-phenyl-2-butanone
CID 409315
(2R)-2-amino-3-phenylpropanamide
CID 7000171
4-Fluoroisocathinone
CID 55292123
Homophenylalaninylmethane
CID 46937105
1-Propanone, 2-amino-1-(4-fluorophenyl)-
CID 12914880
3-Amino-4-phenylbutan-2-one hydrochloride
CID 13342250
Phenylalanylmethane
CID 5289150
1-Amino-3-(4-fluorophenyl)propan-2-one hydrochloride
CID 13290674

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)butanal?
The IUPAC name of 2-amino-4-(4-fluorophenyl)butanal (CID 21195678) is 2-amino-4-(4-fluorophenyl)butanal.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)butanal?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)butanal is NC(C=O)CCc1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)butanal?
The InChIKey is KUOAVTAKJQFYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-4-1-8(2-5-9)3-6-10(12)7-13/h1-2,4-5,7,10H,3,6,12H2.
What are the key properties of 2-amino-4-(4-fluorophenyl)butanal?
2-amino-4-(4-fluorophenyl)butanal has a molecular weight of 181.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)butanal is sourced from PubChem (CID 21195678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).