1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine

C24H41FN2 — CID 143036677

IUPAC1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine
SMILESCC1CCN(CC(c2cccc(C(C)(C)F)c2)C2(C)CCCCC2)C1.CN
InChIInChI=1S/C23H36FN.CH5N/c1-18-11-14-25(16-18)17-21(23(4)12-6-5-7-13-23)19-9-8-10-20(15-19)22(2,3)24;1-2/h8-10,15,18,21H,5-7,11-14,16-17H2,1-4H3;2H2,1H3
InChIKeyLFKVTMGRANNUOF-UHFFFAOYSA-N
MW376.60 g/mol
LogP5.86
Rot. Bonds5

About 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine

1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine (PubChem CID 143036677) has the molecular formula C24H41FN2 and a molecular weight of 376.60 g/mol. Its IUPAC name is 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine.

Molecular Properties

Compound Name1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine
PubChem CID143036677
Molecular FormulaC24H41FN2
Molecular Weight376.60 g/mol
Exact Mass376.33
IUPAC Name1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine
SMILESCC1CCN(CC(c2cccc(C(C)(C)F)c2)C2(C)CCCCC2)C1.CN
InChIInChI=1S/C23H36FN.CH5N/c1-18-11-14-25(16-18)17-21(23(4)12-6-5-7-13-23)19-9-8-10-20(15-19)22(2,3)24;1-2/h8-10,15,18,21H,5-7,11-14,16-17H2,1-4H3;2H2,1H3
InChIKeyLFKVTMGRANNUOF-UHFFFAOYSA-N
XLogP5.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.60
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine?
The IUPAC name of 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine (CID 143036677) is 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine.
What is the SMILES notation for 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine?
The canonical SMILES for 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine is CC1CCN(CC(c2cccc(C(C)(C)F)c2)C2(C)CCCCC2)C1.CN.
What is the InChIKey of 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine?
The InChIKey is LFKVTMGRANNUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN.CH5N/c1-18-11-14-25(16-18)17-21(23(4)12-6-5-7-13-23)19-9-8-10-20(15-19)22(2,3)24;1-2/h8-10,15,18,21H,5-7,11-14,16-17H2,1-4H3;2H2,1H3.
What are the key properties of 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine?
1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine has a molecular weight of 376.60 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine is sourced from PubChem (CID 143036677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).