N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H17F2NO — CID 43783705

IUPACN-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFC(F)Oc1cccc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H17F2NO/c18-17(19)21-16-7-3-6-14(11-16)20-15-9-8-12-4-1-2-5-13(12)10-15/h1-7,11,15,17,20H,8-10H2
InChIKeyWDIOOZBGCBZDKA-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.26
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 43783705) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID43783705
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESFC(F)Oc1cccc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H17F2NO/c18-17(19)21-16-7-3-6-14(11-16)20-15-9-8-12-4-1-2-5-13(12)10-15/h1-7,11,15,17,20H,8-10H2
InChIKeyWDIOOZBGCBZDKA-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754052
methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate
CID 43774418
3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
CID 43698673
4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
CID 43783712
methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate
CID 94014303
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107572538
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine
CID 43768671
2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
CID 43783999
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxalin-6-amine
CID 60943397
benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate
CID 114280142
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43759178

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 43783705) is N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine is FC(F)Oc1cccc(NC2CCc3ccccc3C2)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WDIOOZBGCBZDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-17(19)21-16-7-3-6-14(11-16)20-15-9-8-12-4-1-2-5-13(12)10-15/h1-7,11,15,17,20H,8-10H2.
What are the key properties of N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 289.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 43783705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).