2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline

C16H14Cl2FN — CID 83077048

IUPAC2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline
SMILESFc1cc(Cl)c(NCc2ccccc2C2CC2)c(Cl)c1
InChIInChI=1S/C16H14Cl2FN/c17-14-7-12(19)8-15(18)16(14)20-9-11-3-1-2-4-13(11)10-5-6-10/h1-4,7-8,10,20H,5-6,9H2
InChIKeyFZVUMVIMEGMMFD-UHFFFAOYSA-N
MW310.20 g/mol
LogP5.62
Rot. Bonds4

About 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline

2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline (PubChem CID 83077048) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline
PubChem CID83077048
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline
SMILESFc1cc(Cl)c(NCc2ccccc2C2CC2)c(Cl)c1
InChIInChI=1S/C16H14Cl2FN/c17-14-7-12(19)8-15(18)16(14)20-9-11-3-1-2-4-13(11)10-5-6-10/h1-4,7-8,10,20H,5-6,9H2
InChIKeyFZVUMVIMEGMMFD-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.20
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline (CID 83077048) is 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline is Fc1cc(Cl)c(NCc2ccccc2C2CC2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline?
The InChIKey is FZVUMVIMEGMMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c17-14-7-12(19)8-15(18)16(14)20-9-11-3-1-2-4-13(11)10-5-6-10/h1-4,7-8,10,20H,5-6,9H2.
What are the key properties of 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline?
2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline has a molecular weight of 310.20 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 83077048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).