4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde

C15H14FNO — CID 61412166

IUPAC4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccccc1F)c1ccc(C=O)cc1
InChIInChI=1S/C15H14FNO/c1-17(10-13-4-2-3-5-15(13)16)14-8-6-12(11-18)7-9-14/h2-9,11H,10H2,1H3
InChIKeyRTHXGZULEKEJGF-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.27
Rot. Bonds4

About 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde

4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde (PubChem CID 61412166) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
PubChem CID61412166
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccccc1F)c1ccc(C=O)cc1
InChIInChI=1S/C15H14FNO/c1-17(10-13-4-2-3-5-15(13)16)14-8-6-12(11-18)7-9-14/h2-9,11H,10H2,1H3
InChIKeyRTHXGZULEKEJGF-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 113387633
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 114067025
4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 43658941
3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 106529123
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
4-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412218
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 65487426
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde?
The IUPAC name of 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde (CID 61412166) is 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde?
The canonical SMILES for 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde is CN(Cc1ccccc1F)c1ccc(C=O)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde?
The InChIKey is RTHXGZULEKEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-17(10-13-4-2-3-5-15(13)16)14-8-6-12(11-18)7-9-14/h2-9,11H,10H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde?
4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde has a molecular weight of 243.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde is sourced from PubChem (CID 61412166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).