2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine

C15H24FN3 — CID 115238453

IUPAC2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
SMILESCc1cc(CCNCC2CNCCN2C)ccc1F
InChIInChI=1S/C15H24FN3/c1-12-9-13(3-4-15(12)16)5-6-17-10-14-11-18-7-8-19(14)2/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3
InChIKeyLBDSLOZLJCGOTM-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.17
Rot. Bonds5

About 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine

2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine (PubChem CID 115238453) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
PubChem CID115238453
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
SMILESCc1cc(CCNCC2CNCCN2C)ccc1F
InChIInChI=1S/C15H24FN3/c1-12-9-13(3-4-15(12)16)5-6-17-10-14-11-18-7-8-19(14)2/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3
InChIKeyLBDSLOZLJCGOTM-UHFFFAOYSA-N
XLogP1.17
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine
CID 115238371
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
N-[(4-chlorophenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine
CID 115239608
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
N-[(3-bromo-4-methoxyphenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine
CID 115238365
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine (CID 115238453) is 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine is Cc1cc(CCNCC2CNCCN2C)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine?
The InChIKey is LBDSLOZLJCGOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12-9-13(3-4-15(12)16)5-6-17-10-14-11-18-7-8-19(14)2/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine?
2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 115238453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).