3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline

C18H20FNO — CID 63515935

IUPAC3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
SMILESFc1cccc(NCCOc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H20FNO/c19-16-6-3-7-17(13-16)20-10-11-21-18-9-8-14-4-1-2-5-15(14)12-18/h3,6-9,12-13,20H,1-2,4-5,10-11H2
InChIKeyUAEUMCTYHCMTOB-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.20
Rot. Bonds5

About 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline

3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline (PubChem CID 63515935) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
PubChem CID63515935
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
SMILESFc1cccc(NCCOc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H20FNO/c19-16-6-3-7-17(13-16)20-10-11-21-18-9-8-14-4-1-2-5-15(14)12-18/h3,6-9,12-13,20H,1-2,4-5,10-11H2
InChIKeyUAEUMCTYHCMTOB-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 62571045
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CID 62599410
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
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2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 60679696
3-[2-(3-fluoroanilino)ethoxy]benzoic acid
CID 103234227
5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine
CID 167784582
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
N-(3-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133161949
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline (CID 63515935) is 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline is Fc1cccc(NCCOc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline?
The InChIKey is UAEUMCTYHCMTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-16-6-3-7-17(13-16)20-10-11-21-18-9-8-14-4-1-2-5-15(14)12-18/h3,6-9,12-13,20H,1-2,4-5,10-11H2.
What are the key properties of 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline?
3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline has a molecular weight of 285.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline is sourced from PubChem (CID 63515935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).