2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde

C14H12FNO — CID 150238948

IUPAC2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde
SMILESNCc1ccc(-c2ccccc2C=O)c(F)c1
InChIInChI=1S/C14H12FNO/c15-14-7-10(8-16)5-6-13(14)12-4-2-1-3-11(12)9-17/h1-7,9H,8,16H2
InChIKeyFXCMXGAEKYWPJY-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.76
Rot. Bonds3

About 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde

2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde (PubChem CID 150238948) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde
PubChem CID150238948
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde
SMILESNCc1ccc(-c2ccccc2C=O)c(F)c1
InChIInChI=1S/C14H12FNO/c15-14-7-10(8-16)5-6-13(14)12-4-2-1-3-11(12)9-17/h1-7,9H,8,16H2
InChIKeyFXCMXGAEKYWPJY-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.76
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

4-Benzylbenzamide
CID 21920336
4-Phenylbenzamide
CID 602506
4-(2-Fluorophenyl)benzamide
CID 2741169
2-(2-Fluorophenyl)benzamide
CID 67280845
(1,1'-Biphenyl)-2-carboxamide
CID 83254
[3-[(1R)-1-aminopropyl]-2-fluoro-6-methylphenyl]-phenylmethanone
CID 89544728
(4-(Aminomethyl)phenyl)(phenyl)methanone hydrochloride
CID 2760962
4-(Aminomethyl)-benzaldehyde
CID 22929228
2-Amino-1-(4-phenylphenyl)ethan-1-one
CID 422187
2-Benzylbenzamide
CID 458362
(4-(Aminomethyl)phenyl)(phenyl)methanone
CID 2760963
4'-(Trifluoromethyl)biphenyl-4-carboxamide
CID 11687592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde (CID 150238948) is 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde is NCc1ccc(-c2ccccc2C=O)c(F)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde?
The InChIKey is FXCMXGAEKYWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c15-14-7-10(8-16)5-6-13(14)12-4-2-1-3-11(12)9-17/h1-7,9H,8,16H2.
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde?
2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde has a molecular weight of 229.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluorophenyl]benzaldehyde is sourced from PubChem (CID 150238948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).