(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine

C18H20FNO — CID 78937764

IUPAC(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OC2CCCc3ccccc32)c(F)c1
InChIInChI=1S/C18H20FNO/c1-12(20)14-9-10-18(16(19)11-14)21-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-12,17H,4,6,8,20H2,1H3/t12-,17?/m0/s1
InChIKeyGFLAOYBMEIMJDG-WHUIICBVSA-N
MW285.36 g/mol
LogP4.30
Rot. Bonds3

About (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine

(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine (PubChem CID 78937764) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
PubChem CID78937764
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OC2CCCc3ccccc32)c(F)c1
InChIInChI=1S/C18H20FNO/c1-12(20)14-9-10-18(16(19)11-14)21-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-12,17H,4,6,8,20H2,1H3/t12-,17?/m0/s1
InChIKeyGFLAOYBMEIMJDG-WHUIICBVSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde
CID 43826149
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
(2R)-1-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 124824639
5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66081752
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
CID 64729201
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
3,5-difluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 81287430
2-bromo-3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 107534235
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine (CID 78937764) is (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine is C[C@H](N)c1ccc(OC2CCCc3ccccc32)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The InChIKey is GFLAOYBMEIMJDG-WHUIICBVSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(20)14-9-10-18(16(19)11-14)21-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-12,17H,4,6,8,20H2,1H3/t12-,17?/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine has a molecular weight of 285.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine is sourced from PubChem (CID 78937764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).