2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline

C18H19F2N — CID 103585674

IUPAC2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESCc1cc(F)c(NCC2CCCc3ccccc32)cc1F
InChIInChI=1S/C18H19F2N/c1-12-9-17(20)18(10-16(12)19)21-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8-10,14,21H,4,6-7,11H2,1H3
InChIKeyGJJLPMHAZBGTDO-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.81
Rot. Bonds3

About 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline

2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (PubChem CID 103585674) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
PubChem CID103585674
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESCc1cc(F)c(NCC2CCCc3ccccc32)cc1F
InChIInChI=1S/C18H19F2N/c1-12-9-17(20)18(10-16(12)19)21-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8-10,14,21H,4,6-7,11H2,1H3
InChIKeyGJJLPMHAZBGTDO-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772262
2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107644679
3-chloro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771573
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 83078753
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
CID 103584848
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
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (CID 103585674) is 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is Cc1cc(F)c(NCC2CCCc3ccccc32)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The InChIKey is GJJLPMHAZBGTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12-9-17(20)18(10-16(12)19)21-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8-10,14,21H,4,6-7,11H2,1H3.
What are the key properties of 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline has a molecular weight of 287.35 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 103585674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).