N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline

C17H27FN2 — CID 43541268

IUPACN-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
SMILESCCNC(C)c1cc(F)ccc1N(CC)C1CCCC1
InChIInChI=1S/C17H27FN2/c1-4-19-13(3)16-12-14(18)10-11-17(16)20(5-2)15-8-6-7-9-15/h10-13,15,19H,4-9H2,1-3H3
InChIKeyIXEBBNZEKCZMJU-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.27
Rot. Bonds6

About N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline

N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline (PubChem CID 43541268) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
PubChem CID43541268
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
SMILESCCNC(C)c1cc(F)ccc1N(CC)C1CCCC1
InChIInChI=1S/C17H27FN2/c1-4-19-13(3)16-12-14(18)10-11-17(16)20(5-2)15-8-6-7-9-15/h10-13,15,19H,4-9H2,1-3H3
InChIKeyIXEBBNZEKCZMJU-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63533131
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63550590
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570195
N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline
CID 61441356
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63711350

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline?
The IUPAC name of N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline (CID 43541268) is N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline is CCNC(C)c1cc(F)ccc1N(CC)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline?
The InChIKey is IXEBBNZEKCZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-19-13(3)16-12-14(18)10-11-17(16)20(5-2)15-8-6-7-9-15/h10-13,15,19H,4-9H2,1-3H3.
What are the key properties of N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline?
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline has a molecular weight of 278.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline is sourced from PubChem (CID 43541268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).