N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline

C15H23FN2 — CID 114068167

IUPACN-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline
SMILESCCCN(c1c(F)cccc1CNCC)C1CC1
InChIInChI=1S/C15H23FN2/c1-3-10-18(13-8-9-13)15-12(11-17-4-2)6-5-7-14(15)16/h5-7,13,17H,3-4,8-11H2,1-2H3
InChIKeyXALBTZUEFZVLDT-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.31
Rot. Bonds7

About N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline

N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline (PubChem CID 114068167) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline.

Molecular Properties

Compound NameN-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline
PubChem CID114068167
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline
SMILESCCCN(c1c(F)cccc1CNCC)C1CC1
InChIInChI=1S/C15H23FN2/c1-3-10-18(13-8-9-13)15-12(11-17-4-2)6-5-7-14(15)16/h5-7,13,17H,3-4,8-11H2,1-2H3
InChIKeyXALBTZUEFZVLDT-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
CID 114070011
N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline
CID 114058621
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
N-cyclopropyl-6-(ethylaminomethyl)-N-propylpyridazin-3-amine
CID 62279882
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 115953467
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
3-amino-2-[cyclopropyl(propyl)amino]benzoic acid
CID 112578032
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918
N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
CID 115953347

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline?
The IUPAC name of N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline (CID 114068167) is N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline.
What is the SMILES notation for N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline?
The canonical SMILES for N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline is CCCN(c1c(F)cccc1CNCC)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline?
The InChIKey is XALBTZUEFZVLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-10-18(13-8-9-13)15-12(11-17-4-2)6-5-7-14(15)16/h5-7,13,17H,3-4,8-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline?
N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline has a molecular weight of 250.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline is sourced from PubChem (CID 114068167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).