7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine

C22H18F3NO — CID 175940346

IUPAC7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNC1CCc2ccc(Oc3ccccc3-c3ccc(F)c(F)c3F)cc2C1
InChIInChI=1S/C22H18F3NO/c23-19-10-9-18(21(24)22(19)25)17-3-1-2-4-20(17)27-16-8-6-13-5-7-15(26)11-14(13)12-16/h1-4,6,8-10,12,15H,5,7,11,26H2
InChIKeyWQPPMIHTJMFBMH-UHFFFAOYSA-N
MW369.39 g/mol
LogP5.38
Rot. Bonds3

About 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine

7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 175940346) has the molecular formula C22H18F3NO and a molecular weight of 369.39 g/mol. Its IUPAC name is 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID175940346
Molecular FormulaC22H18F3NO
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNC1CCc2ccc(Oc3ccccc3-c3ccc(F)c(F)c3F)cc2C1
InChIInChI=1S/C22H18F3NO/c23-19-10-9-18(21(24)22(19)25)17-3-1-2-4-20(17)27-16-8-6-13-5-7-15(26)11-14(13)12-16/h1-4,6,8-10,12,15H,5,7,11,26H2
InChIKeyWQPPMIHTJMFBMH-UHFFFAOYSA-N
XLogP5.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[1-carboxy-7-[2-(2,3-difluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
CID 176652509
6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166257815
2-amino-7-[2-(3,4-difluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107703
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10130349
2-amino-7-[2-(3-chloro-4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107896
2-amino-7-[2-(2,3,4,5,6-pentafluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210392
[2-carboxy-7-[2-(2-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalen-2-yl]azanium chloride
CID 169210384
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 175940346) is 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine is NC1CCc2ccc(Oc3ccccc3-c3ccc(F)c(F)c3F)cc2C1.
What is the InChIKey of 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WQPPMIHTJMFBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO/c23-19-10-9-18(21(24)22(19)25)17-3-1-2-4-20(17)27-16-8-6-13-5-7-15(26)11-14(13)12-16/h1-4,6,8-10,12,15H,5,7,11,26H2.
What are the key properties of 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine?
7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 369.39 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,3,4-trifluorophenyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 175940346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).