cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine

C15H17FN2 — CID 167838795

IUPACcis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine
SMILESCC(N[C@@H]1CC[C@@H]1F)c1ccc2cnccc2c1
InChIInChI=1S/C15H17FN2/c1-10(18-15-5-4-14(15)16)11-2-3-13-9-17-7-6-12(13)8-11/h2-3,6-10,14-15,18H,4-5H2,1H3/t10?,14-,15+/m0/s1
InChIKeyUNWJZYUCMMOIQL-XVDHHWJWSA-N
MW244.31 g/mol
LogP3.39
Rot. Bonds3

About cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine

cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine (PubChem CID 167838795) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine
PubChem CID167838795
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Namecis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine
SMILESCC(N[C@@H]1CC[C@@H]1F)c1ccc2cnccc2c1
InChIInChI=1S/C15H17FN2/c1-10(18-15-5-4-14(15)16)11-2-3-13-9-17-7-6-12(13)8-11/h2-3,6-10,14-15,18H,4-5H2,1H3/t10?,14-,15+/m0/s1
InChIKeyUNWJZYUCMMOIQL-XVDHHWJWSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-6-yl-N-[(1-pentan-3-ylpyrrolidin-3-yl)methyl]ethanamine
CID 143705375
2-isoquinolin-6-ylpropanamide
CID 66599621
2-isoquinolin-6-ylpropan-1-amine
CID 117280533
6-pentan-3-ylisoquinoline
CID 126576058
N-(1-naphthalen-2-ylethyl)cyclobutanamine
CID 62415710
N-(1-naphthalen-2-ylethyl)cyclohexanamine
CID 43080679
(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038712
3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide
CID 91099751
1-isoquinolin-6-yl-4-sulfanylbutane-1,2-diol
CID 171874310
(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 67650944
2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 60713516

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine?
The IUPAC name of cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine (CID 167838795) is cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine is CC(N[C@@H]1CC[C@@H]1F)c1ccc2cnccc2c1.
What is the InChIKey of cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine?
The InChIKey is UNWJZYUCMMOIQL-XVDHHWJWSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10(18-15-5-4-14(15)16)11-2-3-13-9-17-7-6-12(13)8-11/h2-3,6-10,14-15,18H,4-5H2,1H3/t10?,14-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine?
cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine has a molecular weight of 244.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-fluoro-N-(1-isoquinolin-6-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 167838795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).