2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline

C17H16Cl2FN — CID 83078753

IUPAC2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCC2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H16Cl2FN/c18-15-8-13(20)9-16(19)17(15)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7-9,12,21H,3,5-6,10H2
InChIKeyZREIHROATQJDGQ-UHFFFAOYSA-N
MW324.23 g/mol
LogP5.66
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline

2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (PubChem CID 83078753) has the molecular formula C17H16Cl2FN and a molecular weight of 324.23 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
PubChem CID83078753
Molecular FormulaC17H16Cl2FN
Molecular Weight324.23 g/mol
Exact Mass323.06
IUPAC Name2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCC2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H16Cl2FN/c18-15-8-13(20)9-16(19)17(15)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7-9,12,21H,3,5-6,10H2
InChIKeyZREIHROATQJDGQ-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.23
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107611468
4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772264
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 55242662
3-chloro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771573
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63772616
2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 103585674
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107644679
4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772262
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773172
2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 83077048

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (CID 83078753) is 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is Fc1cc(Cl)c(NCC2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The InChIKey is ZREIHROATQJDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN/c18-15-8-13(20)9-16(19)17(15)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7-9,12,21H,3,5-6,10H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline has a molecular weight of 324.23 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 83078753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).