1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine

C14H21F2N3 — CID 82305573

IUPAC1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1cc(F)ccc1F)N1CCN(C)CC1
InChIInChI=1S/C14H21F2N3/c1-10(17)14(19-7-5-18(2)6-8-19)12-9-11(15)3-4-13(12)16/h3-4,9-10,14H,5-8,17H2,1-2H3
InChIKeySPQLXVWBNXTBQO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.60
Rot. Bonds3

About 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine

1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 82305573) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID82305573
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1cc(F)ccc1F)N1CCN(C)CC1
InChIInChI=1S/C14H21F2N3/c1-10(17)14(19-7-5-18(2)6-8-19)12-9-11(15)3-4-13(12)16/h3-4,9-10,14H,5-8,17H2,1-2H3
InChIKeySPQLXVWBNXTBQO-UHFFFAOYSA-N
XLogP1.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420307
1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine
CID 55016999
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716
(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941381
1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
CID 171305268
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83008977
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
1-(2,5-difluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82284502
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 82305573) is 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine is CC(N)C(c1cc(F)ccc1F)N1CCN(C)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is SPQLXVWBNXTBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-10(17)14(19-7-5-18(2)6-8-19)12-9-11(15)3-4-13(12)16/h3-4,9-10,14H,5-8,17H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine?
1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 269.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 82305573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).