N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine

C16H24F2N2 — CID 115525468

IUPACN-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C)C1c1ccc(C(F)F)cc1
InChIInChI=1S/C16H24F2N2/c1-11(2)19-10-14-8-9-20(3)15(14)12-4-6-13(7-5-12)16(17)18/h4-7,11,14-16,19H,8-10H2,1-3H3
InChIKeyWPJVTJDDTVXCDI-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.62
Rot. Bonds5

About N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine

N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 115525468) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID115525468
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C)C1c1ccc(C(F)F)cc1
InChIInChI=1S/C16H24F2N2/c1-11(2)19-10-14-8-9-20(3)15(14)12-4-6-13(7-5-12)16(17)18/h4-7,11,14-16,19H,8-10H2,1-3H3
InChIKeyWPJVTJDDTVXCDI-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 79977325
N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 115528974
2-methoxy-5-[1-methyl-3-[(propan-2-ylamino)methyl]pyrrolidin-2-yl]benzonitrile
CID 65336216
N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 113329208
2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine
CID 115525529
N-[[3-(4-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 79971008
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 114488894
[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
N-[[2-(4-bromo-2-nitrophenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 114385764
N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
tert-butyl (3S)-3-[(1S)-1-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methylamino]ethyl]piperidine-1-carboxylate
CID 97341204

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine (CID 115525468) is N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(C)C1c1ccc(C(F)F)cc1.
What is the InChIKey of N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is WPJVTJDDTVXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-11(2)19-10-14-8-9-20(3)15(14)12-4-6-13(7-5-12)16(17)18/h4-7,11,14-16,19H,8-10H2,1-3H3.
What are the key properties of N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine?
N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 282.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 115525468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).