2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline

C14H21FN2 — CID 55234833

IUPAC2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
SMILESCCCN(c1ccc(F)cc1CCN)C1CC1
InChIInChI=1S/C14H21FN2/c1-2-9-17(13-4-5-13)14-6-3-12(15)10-11(14)7-8-16/h3,6,10,13H,2,4-5,7-9,16H2,1H3
InChIKeyJPCWGAUPWDDNJT-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline

2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline (PubChem CID 55234833) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
PubChem CID55234833
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
SMILESCCCN(c1ccc(F)cc1CCN)C1CC1
InChIInChI=1S/C14H21FN2/c1-2-9-17(13-4-5-13)14-6-3-12(15)10-11(14)7-8-16/h3,6,10,13H,2,4-5,7-9,16H2,1H3
InChIKeyJPCWGAUPWDDNJT-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 43313547
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55236190
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
CID 43313053
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918
2-(bromomethyl)-N-cyclopropyl-N-ethyl-4-fluoroaniline
CID 107079822
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine
CID 82753960
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline (CID 55234833) is 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline is CCCN(c1ccc(F)cc1CCN)C1CC1.
What is the InChIKey of 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline?
The InChIKey is JPCWGAUPWDDNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-9-17(13-4-5-13)14-6-3-12(15)10-11(14)7-8-16/h3,6,10,13H,2,4-5,7-9,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline?
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline has a molecular weight of 236.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline is sourced from PubChem (CID 55234833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).