2-[(3-fluorophenyl)methylamino]acetaldehyde

C9H10FNO — CID 115222993

IUPAC2-[(3-fluorophenyl)methylamino]acetaldehyde
SMILESO=CCNCc1cccc(F)c1
InChIInChI=1S/C9H10FNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,5-6,11H,4,7H2
InChIKeyXMHUNTLIQCUDAZ-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.11
Rot. Bonds4

About 2-[(3-fluorophenyl)methylamino]acetaldehyde

2-[(3-fluorophenyl)methylamino]acetaldehyde (PubChem CID 115222993) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]acetaldehyde
PubChem CID115222993
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-[(3-fluorophenyl)methylamino]acetaldehyde
SMILESO=CCNCc1cccc(F)c1
InChIInChI=1S/C9H10FNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,5-6,11H,4,7H2
InChIKeyXMHUNTLIQCUDAZ-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.11
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

Ethyl[(3-fluorophenyl)methyl]amine
CID 457578
2-(Benzylamino)acetamide
CID 433982
N-Ethyl-4-fluorobenzylamine
CID 4716481
Benzenemethanamine, 3-fluoro-N-propyl-
CID 457580
N-(2-fluorobenzyl)butan-1-amine
CID 487835
2-(benzylamino)-N-methylacetamide
CID 562459
2-{[(4-Fluorophenyl)methyl]amino}ethan-1-ol
CID 3614545
Ethyl[(2-fluorophenyl)methyl]amine
CID 4719442
Benzenemethanamine, N-butyl-3-fluoro-
CID 457581
Benzenemethanamine, 3-fluoro-N-pentyl-
CID 457582
Allyl-(2-fluoro-benzyl)-amine
CID 3154545
N-(4-Fluorobenzyl)formamide
CID 4433850

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]acetaldehyde?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]acetaldehyde (CID 115222993) is 2-[(3-fluorophenyl)methylamino]acetaldehyde.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]acetaldehyde?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]acetaldehyde is O=CCNCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]acetaldehyde?
The InChIKey is XMHUNTLIQCUDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,5-6,11H,4,7H2.
What are the key properties of 2-[(3-fluorophenyl)methylamino]acetaldehyde?
2-[(3-fluorophenyl)methylamino]acetaldehyde has a molecular weight of 167.18 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]acetaldehyde is sourced from PubChem (CID 115222993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).