1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine

C17H17FN2 — CID 115805155

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H17FN2/c18-12-7-11(8-20-9-12)17(19)16-14-6-5-10-3-1-2-4-13(10)15(14)16/h1-4,7-9,14-17H,5-6,19H2
InChIKeyZJAAIFZIWGJDOM-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.20
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 115805155) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine
PubChem CID115805155
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H17FN2/c18-12-7-11(8-20-9-12)17(19)16-14-6-5-10-3-1-2-4-13(10)15(14)16/h1-4,7-9,14-17H,5-6,19H2
InChIKeyZJAAIFZIWGJDOM-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026125
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 115852005
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 105006553
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65410799
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol
CID 115833981
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320552
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305505
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
CID 114981786
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
CID 115802125
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
CID 115835676

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine (CID 115805155) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine is NC(c1cncc(F)c1)C1C2CCc3ccccc3C21.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is ZJAAIFZIWGJDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c18-12-7-11(8-20-9-12)17(19)16-14-6-5-10-3-1-2-4-13(10)15(14)16/h1-4,7-9,14-17H,5-6,19H2.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 268.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 115805155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).