1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine

C16H22FN — CID 117371666

IUPAC1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine
SMILESNC1(c2cc3c(cc2F)CCCC3)CCCCC1
InChIInChI=1S/C16H22FN/c17-15-11-13-7-3-2-6-12(13)10-14(15)16(18)8-4-1-5-9-16/h10-11H,1-9,18H2
InChIKeyDGGZROYMQVDKOU-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.82
Rot. Bonds1

About 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine (PubChem CID 117371666) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine
PubChem CID117371666
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine
SMILESNC1(c2cc3c(cc2F)CCCC3)CCCCC1
InChIInChI=1S/C16H22FN/c17-15-11-13-7-3-2-6-12(13)10-14(15)16(18)8-4-1-5-9-16/h10-11H,1-9,18H2
InChIKeyDGGZROYMQVDKOU-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
CID 117342628
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
6-(1-aminocyclopentyl)-2,3-dihydro-1H-inden-5-ol
CID 117309765
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84785545
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]methanamine
CID 117293731
1-[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanamine
CID 117312920
[3-(1-aminocyclopentyl)-4-fluorophenyl]methanol
CID 117298948
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine (CID 117371666) is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine is NC1(c2cc3c(cc2F)CCCC3)CCCCC1.
What is the InChIKey of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine?
The InChIKey is DGGZROYMQVDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-15-11-13-7-3-2-6-12(13)10-14(15)16(18)8-4-1-5-9-16/h10-11H,1-9,18H2.
What are the key properties of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine?
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 117371666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).