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

C17H18FN — CID 55242662

IUPAC2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESFc1ccccc1NCC1CCCc2ccccc21
InChIInChI=1S/C17H18FN/c18-16-10-3-4-11-17(16)19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,19H,5,7-8,12H2
InChIKeyQABKYJYRSHYGFL-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.36
Rot. Bonds3

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

2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (PubChem CID 55242662) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
PubChem CID55242662
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESFc1ccccc1NCC1CCCc2ccccc21
InChIInChI=1S/C17H18FN/c18-16-10-3-4-11-17(16)19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,19H,5,7-8,12H2
InChIKeyQABKYJYRSHYGFL-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107644679
2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 103585674
4-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772264
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 83078753
4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772262
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
5-bromo-2-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771421
2-bromo-6-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107611468
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63772616

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (CID 55242662) is 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is Fc1ccccc1NCC1CCCc2ccccc21.
What is the InChIKey of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The InChIKey is QABKYJYRSHYGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-16-10-3-4-11-17(16)19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,19H,5,7-8,12H2.
What are the key properties of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline has a molecular weight of 255.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 55242662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).