2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline

C15H25FN2 — CID 114065954

IUPAC2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline
SMILESCCC(C)N(CC)c1cccc(F)c1CC(C)N
InChIInChI=1S/C15H25FN2/c1-5-12(4)18(6-2)15-9-7-8-14(16)13(15)10-11(3)17/h7-9,11-12H,5-6,10,17H2,1-4H3
InChIKeyPOOMNSZMJVFPKE-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline

2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline (PubChem CID 114065954) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline
PubChem CID114065954
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline
SMILESCCC(C)N(CC)c1cccc(F)c1CC(C)N
InChIInChI=1S/C15H25FN2/c1-5-12(4)18(6-2)15-9-7-8-14(16)13(15)10-11(3)17/h7-9,11-12H,5-6,10,17H2,1-4H3
InChIKeyPOOMNSZMJVFPKE-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline?
The IUPAC name of 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline (CID 114065954) is 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline?
The canonical SMILES for 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline is CCC(C)N(CC)c1cccc(F)c1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline?
The InChIKey is POOMNSZMJVFPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-12(4)18(6-2)15-9-7-8-14(16)13(15)10-11(3)17/h7-9,11-12H,5-6,10,17H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline?
2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline has a molecular weight of 252.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 114065954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).