2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde

C16H15ClFNO — CID 63536493

IUPAC2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde
SMILESCC(c1cccc(Cl)c1)N(C)c1ccc(F)cc1C=O
InChIInChI=1S/C16H15ClFNO/c1-11(12-4-3-5-14(17)8-12)19(2)16-7-6-15(18)9-13(16)10-20/h3-11H,1-2H3
InChIKeyYISZVMXFMLPPPG-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.49
Rot. Bonds4

About 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde

2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde (PubChem CID 63536493) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde
PubChem CID63536493
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde
SMILESCC(c1cccc(Cl)c1)N(C)c1ccc(F)cc1C=O
InChIInChI=1S/C16H15ClFNO/c1-11(12-4-3-5-14(17)8-12)19(2)16-7-6-15(18)9-13(16)10-20/h3-11H,1-2H3
InChIKeyYISZVMXFMLPPPG-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

1-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62980389
2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzonitrile
CID 63668363
3-chloro-4-[1-(3-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145827
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
CID 62979796
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979618
2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118
(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941110
N-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55595194
4-(aminomethyl)-2-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63087520
4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80725929
[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol
CID 106529874
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde?
The IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde (CID 63536493) is 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde is CC(c1cccc(Cl)c1)N(C)c1ccc(F)cc1C=O.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde?
The InChIKey is YISZVMXFMLPPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(12-4-3-5-14(17)8-12)19(2)16-7-6-15(18)9-13(16)10-20/h3-11H,1-2H3.
What are the key properties of 2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde?
2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde 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-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzaldehyde is sourced from PubChem (CID 63536493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).