4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline

C15H24FN3 — CID 115239371

IUPAC4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
SMILESCc1cc(N(C)CCC2CN(C)CCN2)ccc1F
InChIInChI=1S/C15H24FN3/c1-12-10-14(4-5-15(12)16)19(3)8-6-13-11-18(2)9-7-17-13/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyUNSKBHYZHCJQHH-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.86
Rot. Bonds4

About 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline

4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline (PubChem CID 115239371) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
PubChem CID115239371
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
SMILESCc1cc(N(C)CCC2CN(C)CCN2)ccc1F
InChIInChI=1S/C15H24FN3/c1-12-10-14(4-5-15(12)16)19(3)8-6-13-11-18(2)9-7-17-13/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyUNSKBHYZHCJQHH-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238616
4-fluoro-3-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238533
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine
CID 115239392
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115238608
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
CID 115207341
N-(2-chloroethyl)-4-fluoro-N,3-dimethylaniline
CID 115214678
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239457
5-bromo-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239342
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline (CID 115239371) is 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline is Cc1cc(N(C)CCC2CN(C)CCN2)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline?
The InChIKey is UNSKBHYZHCJQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12-10-14(4-5-15(12)16)19(3)8-6-13-11-18(2)9-7-17-13/h4-5,10,13,17H,6-9,11H2,1-3H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline?
4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline has a molecular weight of 265.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline is sourced from PubChem (CID 115239371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).