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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-N-(2-fluorobenzyl)amine
CID 834546
N-Benzyl-2,4-dichloroaniline
CID 13339994
2-chloro-N-(2-phenylethyl)aniline
CID 21682091
2,6-Dichloro-4-(1H-inden-1-ylidenemethyl)-N-methylaniline
CID 5924590
2-[(2-Chloro-4-fluoroanilino)methyl]benzonitrile
CID 28878911
(3-Chloro-5,3',5'-trifluorobiphenyl-4-yl)ethylamine
CID 6426036
(3,5'-Dichloro-5,3'-difluorobiphenyl-4-yl)ethylamine
CID 6426137
3,5-Dichloro-2',6'-difluorobiphenyl-4-yl)methylamine
CID 6426146
Methyl(3,2',6'-trichloro-5-fluorobiphenyl-4-yl)amine
CID 6426245
N-[(3,5-dichlorophenyl)methyl]-4-fluoroaniline
CID 12937054
2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline
CID 967942
2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine
CID 13059681

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).