N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline

C18H29FN2 — CID 63550591

IUPACN-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
SMILESCCN(c1ccc(F)cc1CNCC(C)C)C1CCCC1
InChIInChI=1S/C18H29FN2/c1-4-21(17-7-5-6-8-17)18-10-9-16(19)11-15(18)13-20-12-14(2)3/h9-11,14,17,20H,4-8,12-13H2,1-3H3
InChIKeyOUEPQOWARNYBGE-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.34
Rot. Bonds7

About N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline

N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 63550591) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
PubChem CID63550591
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
SMILESCCN(c1ccc(F)cc1CNCC(C)C)C1CCCC1
InChIInChI=1S/C18H29FN2/c1-4-21(17-7-5-6-8-17)18-10-9-16(19)11-15(18)13-20-12-14(2)3/h9-11,14,17,20H,4-8,12-13H2,1-3H3
InChIKeyOUEPQOWARNYBGE-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789
2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63550590
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81249270
2-(bromomethyl)-N-cyclopropyl-N-ethyl-4-fluoroaniline
CID 107079822
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
2-(bromomethyl)-N-cyclopentyl-4-fluoro-N-(3-methylbutyl)aniline
CID 107084629
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline (CID 63550591) is N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline is CCN(c1ccc(F)cc1CNCC(C)C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is OUEPQOWARNYBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-21(17-7-5-6-8-17)18-10-9-16(19)11-15(18)13-20-12-14(2)3/h9-11,14,17,20H,4-8,12-13H2,1-3H3.
What are the key properties of N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline?
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 292.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63550591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).