2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline

C16H17Cl2FN2 — CID 82813300

IUPAC2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
SMILESCC(c1ccccc1F)N(C)Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C16H17Cl2FN2/c1-10(12-5-3-4-6-15(12)19)21(2)9-11-7-13(17)16(20)14(18)8-11/h3-8,10H,9,20H2,1-2H3
InChIKeyXVNCNIRLBFLGKY-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.91
Rot. Bonds4

About 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline

2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline (PubChem CID 82813300) has the molecular formula C16H17Cl2FN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
PubChem CID82813300
Molecular FormulaC16H17Cl2FN2
Molecular Weight327.23 g/mol
Exact Mass326.08
IUPAC Name2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
SMILESCC(c1ccccc1F)N(C)Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C16H17Cl2FN2/c1-10(12-5-3-4-6-15(12)19)21(2)9-11-7-13(17)16(20)14(18)8-11/h3-8,10H,9,20H2,1-2H3
InChIKeyXVNCNIRLBFLGKY-UHFFFAOYSA-N
XLogP4.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-{[2,6-Dichloro-4-(trifluoromethyl)phenyl]diazenyl}-N,N-diethylaniline
CID 2825078
4-[2-(3-chloro-4-fluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 103043132
2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline
CID 139244634
3,5-Dichloro-2',6'-difluorobiphenyl-4-yl)methylamine
CID 6426146
Methyl(3,2',6'-trichloro-5-fluorobiphenyl-4-yl)amine
CID 6426245
2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline
CID 967942
2,6-dichloro-4-N-[[4-(dimethylamino)-2-fluorophenyl]methyl]benzene-1,4-diamine
CID 13059691
3-{[1-(3,5-Dichlorophenyl)ethylamino]-(4-fluorophenyl)methyl}phenylamine
CID 18334248
2-Chloro-6-[[cyclohexyl(methyl)amino]methyl]-4-fluoroaniline
CID 20319222
N-methyl-N-[2-(4-amino-3-chloro-5-fluoro-phenyl)-ethyl]-amine
CID 20433831
2,6-Dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline
CID 21274779
N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline
CID 58022096

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline (CID 82813300) is 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline is CC(c1ccccc1F)N(C)Cc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline?
The InChIKey is XVNCNIRLBFLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2FN2/c1-10(12-5-3-4-6-15(12)19)21(2)9-11-7-13(17)16(20)14(18)8-11/h3-8,10H,9,20H2,1-2H3.
What are the key properties of 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline?
2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline has a molecular weight of 327.23 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline is sourced from PubChem (CID 82813300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).