3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine

C28H32F2N2 — CID 158921302

IUPAC3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine
SMILESC#CC(C1c2ccccc2CCC1F)N(C)C1CC(F)Cc2ccccc21.C#CCNC
InChIInChI=1S/C24H25F2N.C4H7N/c1-3-22(24-20-11-7-4-8-16(20)12-13-21(24)26)27(2)23-15-18(25)14-17-9-5-6-10-19(17)23;1-3-4-5-2/h1,4-11,18,21-24H,12-15H2,2H3;1,5H,4H2,2H3
InChIKeyJHWGTTJFCPHLIX-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.85
Rot. Bonds4

About 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine

3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine (PubChem CID 158921302) has the molecular formula C28H32F2N2 and a molecular weight of 434.57 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine
PubChem CID158921302
Molecular FormulaC28H32F2N2
Molecular Weight434.57 g/mol
Exact Mass434.25
IUPAC Name3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine
SMILESC#CC(C1c2ccccc2CCC1F)N(C)C1CC(F)Cc2ccccc21.C#CCNC
InChIInChI=1S/C24H25F2N.C4H7N/c1-3-22(24-20-11-7-4-8-16(20)12-13-21(24)26)27(2)23-15-18(25)14-17-9-5-6-10-19(17)23;1-3-4-5-2/h1,4-11,18,21-24H,12-15H2,2H3;1,5H,4H2,2H3
InChIKeyJHWGTTJFCPHLIX-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine?
The IUPAC name of 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine (CID 158921302) is 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine.
What is the SMILES notation for 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine?
The canonical SMILES for 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine is C#CC(C1c2ccccc2CCC1F)N(C)C1CC(F)Cc2ccccc21.C#CCNC.
What is the InChIKey of 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine?
The InChIKey is JHWGTTJFCPHLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N.C4H7N/c1-3-22(24-20-11-7-4-8-16(20)12-13-21(24)26)27(2)23-15-18(25)14-17-9-5-6-10-19(17)23;1-3-4-5-2/h1,4-11,18,21-24H,12-15H2,2H3;1,5H,4H2,2H3.
What are the key properties of 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine?
3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine has a molecular weight of 434.57 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-ynyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;N-methylprop-2-yn-1-amine is sourced from PubChem (CID 158921302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).