N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline

C15H23FN2 — CID 106741025

IUPACN-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline
SMILESCCN(CC1CCNC(C)C1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-3-18(15-7-5-4-6-14(15)16)11-13-8-9-17-12(2)10-13/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyHOQZIAXIIBGFKI-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.04
Rot. Bonds4

About N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline

N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline (PubChem CID 106741025) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline
PubChem CID106741025
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline
SMILESCCN(CC1CCNC(C)C1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-3-18(15-7-5-4-6-14(15)16)11-13-8-9-17-12(2)10-13/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyHOQZIAXIIBGFKI-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
5-[(N-ethyl-2-fluoroanilino)methyl]pyrrolidin-3-ol
CID 66056957
N-ethyl-N-(2-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106739902
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline
CID 64735056
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-fluoroaniline
CID 79315604
N-ethyl-N-[(2-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 106740869
N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388805
3-[(N-ethyl-2-fluoroanilino)methyl]oxan-4-one
CID 103057811
N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065675
N-(cyclobutylmethyl)-N-[(2-methylpiperidin-4-yl)methyl]ethanamine
CID 107399332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline (CID 106741025) is N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline is CCN(CC1CCNC(C)C1)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is HOQZIAXIIBGFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-18(15-7-5-4-6-14(15)16)11-13-8-9-17-12(2)10-13/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline?
N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 250.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 106741025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).