2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde

C16H15ClFNO — CID 63536816

IUPAC2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde
SMILESCC(c1ccccc1F)N(C)c1cccc(Cl)c1C=O
InChIInChI=1S/C16H15ClFNO/c1-11(12-6-3-4-8-15(12)18)19(2)16-9-5-7-14(17)13(16)10-20/h3-11H,1-2H3
InChIKeyZYSIMAZKYJFKRZ-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.49
Rot. Bonds4

About 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde

2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde (PubChem CID 63536816) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde
PubChem CID63536816
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde
SMILESCC(c1ccccc1F)N(C)c1cccc(Cl)c1C=O
InChIInChI=1S/C16H15ClFNO/c1-11(12-6-3-4-8-15(12)18)19(2)16-9-5-7-14(17)13(16)10-20/h3-11H,1-2H3
InChIKeyZYSIMAZKYJFKRZ-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.49
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-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]benzaldehyde
CID 55010814
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
3-chloro-4-[1-(2-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145708
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
2-bromo-6-[1-(2-fluorophenyl)ethyl-methylamino]benzonitrile
CID 114880995
1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 62980067
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
4-chloro-6-[1-(2-chlorophenyl)ethyl-methylamino]pyrimidine-5-carbaldehyde
CID 66366714
2-[bis(3-methylbutyl)amino]-6-chlorobenzaldehyde
CID 107870270
2-chloro-6-[1-(2-chlorophenyl)ethyl-methylamino]benzonitrile
CID 63510170

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde?
The IUPAC name of 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde (CID 63536816) is 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde?
The canonical SMILES for 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde is CC(c1ccccc1F)N(C)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde?
The InChIKey is ZYSIMAZKYJFKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(12-6-3-4-8-15(12)18)19(2)16-9-5-7-14(17)13(16)10-20/h3-11H,1-2H3.
What are the key properties of 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde?
2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde has a molecular weight of 291.75 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(2-fluorophenyl)ethyl-methylamino]benzaldehyde is sourced from PubChem (CID 63536816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).