5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H17F2NO — CID 65454214

IUPAC5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCc3ccc(F)cc3F)cccc21
InChIInChI=1S/C17H17F2NO/c18-12-8-7-11(15(19)9-12)10-21-17-6-2-3-13-14(17)4-1-5-16(13)20/h2-3,6-9,16H,1,4-5,10,20H2
InChIKeyDBRLDXJTXAATOA-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.88
Rot. Bonds3

About 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65454214) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65454214
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCc3ccc(F)cc3F)cccc21
InChIInChI=1S/C17H17F2NO/c18-12-8-7-11(15(19)9-12)10-21-17-6-2-3-13-14(17)4-1-5-16(13)20/h2-3,6-9,16H,1,4-5,10,20H2
InChIKeyDBRLDXJTXAATOA-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-fluoro-2-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105370357
4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-fluorobenzonitrile
CID 63090985
4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 102615215
5-[(2-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711814
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683060
5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102616513
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455719
3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 107114252
5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104796375
4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-methylbenzonitrile
CID 114479486

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65454214) is 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2c(OCc3ccc(F)cc3F)cccc21.
What is the InChIKey of 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DBRLDXJTXAATOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-12-8-7-11(15(19)9-12)10-21-17-6-2-3-13-14(17)4-1-5-16(13)20/h2-3,6-9,16H,1,4-5,10,20H2.
What are the key properties of 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 289.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65454214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).