3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

C14H22FN3 — CID 82888949

IUPAC3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCc1cc(F)cc(NCCN2CCN(C)CC2)c1
InChIInChI=1S/C14H22FN3/c1-12-9-13(15)11-14(10-12)16-3-4-18-7-5-17(2)6-8-18/h9-11,16H,3-8H2,1-2H3
InChIKeyIPODWZLRAYAKPY-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.79
Rot. Bonds4

About 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (PubChem CID 82888949) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
PubChem CID82888949
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCc1cc(F)cc(NCCN2CCN(C)CC2)c1
InChIInChI=1S/C14H22FN3/c1-12-9-13(15)11-14(10-12)16-3-4-18-7-5-17(2)6-8-18/h9-11,16H,3-8H2,1-2H3
InChIKeyIPODWZLRAYAKPY-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82079424
3,5-dichloro-4-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 107573794
2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine
CID 54861120
2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 79054916
2,3,5-trifluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889889
4-bromo-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889277
2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82890129
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline
CID 82889276
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797
N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
CID 79054586

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (CID 82888949) is 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is Cc1cc(F)cc(NCCN2CCN(C)CC2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The InChIKey is IPODWZLRAYAKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-12-9-13(15)11-14(10-12)16-3-4-18-7-5-17(2)6-8-18/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline has a molecular weight of 251.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 82888949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).