N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine

C16H25FN2 — CID 63217806

IUPACN-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1N1CCCC1(C)C
InChIInChI=1S/C16H25FN2/c1-12(2)18-11-13-10-14(17)6-7-15(13)19-9-5-8-16(19,3)4/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyPCLNNZJGFWLKBX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.70
Rot. Bonds4

About N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine

N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine (PubChem CID 63217806) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
PubChem CID63217806
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1N1CCCC1(C)C
InChIInChI=1S/C16H25FN2/c1-12(2)18-11-13-10-14(17)6-7-15(13)19-9-5-8-16(19,3)4/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyPCLNNZJGFWLKBX-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine (CID 63217806) is N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)ccc1N1CCCC1(C)C.
What is the InChIKey of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The InChIKey is PCLNNZJGFWLKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)18-11-13-10-14(17)6-7-15(13)19-9-5-8-16(19,3)4/h6-7,10,12,18H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 63217806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).