2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline

C18H23FN2 — CID 115995117

IUPAC2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline
SMILESCCNC(CC)c1ccccc1N(C)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2/c1-4-17(20-5-2)16-8-6-7-9-18(16)21(3)15-12-10-14(19)11-13-15/h6-13,17,20H,4-5H2,1-3H3
InChIKeyJPPUIWZHHNSIKA-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.65
Rot. Bonds6

About 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline

2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 115995117) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline
PubChem CID115995117
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline
SMILESCCNC(CC)c1ccccc1N(C)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2/c1-4-17(20-5-2)16-8-6-7-9-18(16)21(3)15-12-10-14(19)11-13-15/h6-13,17,20H,4-5H2,1-3H3
InChIKeyJPPUIWZHHNSIKA-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 115995040
2-[1-(ethylamino)propyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 115994861
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994976
2-[1-(ethylamino)propyl]-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 115995016
2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline
CID 115994953
2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline
CID 115995052
1-[2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylpropan-1-amine
CID 116689296
3-[N-ethyl-2-[1-(ethylamino)propyl]anilino]-2-methylpropanenitrile
CID 115995032
2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
CID 112678084
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline (CID 115995117) is 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline is CCNC(CC)c1ccccc1N(C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is JPPUIWZHHNSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-17(20-5-2)16-8-6-7-9-18(16)21(3)15-12-10-14(19)11-13-15/h6-13,17,20H,4-5H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline?
2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 286.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 115995117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).