N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine

C14H20F2N2 — CID 55225914

IUPACN-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H20F2N2/c1-10(2)18-6-5-13(9-18)17-8-11-7-12(15)3-4-14(11)16/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyIVEXPQGTCCBHTH-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine

N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 55225914) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
PubChem CID55225914
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H20F2N2/c1-10(2)18-6-5-13(9-18)17-8-11-7-12(15)3-4-14(11)16/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyIVEXPQGTCCBHTH-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
CID 64656505
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
1-[2-(2,5-difluorophenyl)ethyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111965692
2-[2-(2,5-difluorophenyl)ethyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111965690
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 103784734
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 103748166
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 142165697

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine (CID 55225914) is N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CCC(NCc2cc(F)ccc2F)C1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is IVEXPQGTCCBHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10(2)18-6-5-13(9-18)17-8-11-7-12(15)3-4-14(11)16/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 55225914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).