N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

C15H22F2N2 — CID 62415492

IUPACN-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1CCNCc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2/c1-19-9-3-2-4-14(19)7-8-18-11-12-5-6-13(16)10-15(12)17/h5-6,10,14,18H,2-4,7-9,11H2,1H3
InChIKeyFUKQKROJLVEECI-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.93
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 62415492) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID62415492
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1CCNCc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2/c1-19-9-3-2-4-14(19)7-8-18-11-12-5-6-13(16)10-15(12)17/h5-6,10,14,18H,2-4,7-9,11H2,1H3
InChIKeyFUKQKROJLVEECI-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62416863
[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine
CID 115238371
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 114136966
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62654307
2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (CID 62415492) is N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is CN1CCCCC1CCNCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is FUKQKROJLVEECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19-9-3-2-4-14(19)7-8-18-11-12-5-6-13(16)10-15(12)17/h5-6,10,14,18H,2-4,7-9,11H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 62415492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).