4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline

C15H23FN2 — CID 63368751

IUPAC4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
SMILESCCCCN(c1ccc([C@@H](C)N)cc1F)C1CC1
InChIInChI=1S/C15H23FN2/c1-3-4-9-18(13-6-7-13)15-8-5-12(11(2)17)10-14(15)16/h5,8,10-11,13H,3-4,6-7,9,17H2,1-2H3/t11-/m1/s1
InChIKeyQQLUCNYCJBMWHC-LLVKDONJSA-N
MW250.36 g/mol
LogP3.61
Rot. Bonds6

About 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline

4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline (PubChem CID 63368751) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
PubChem CID63368751
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
SMILESCCCCN(c1ccc([C@@H](C)N)cc1F)C1CC1
InChIInChI=1S/C15H23FN2/c1-3-4-9-18(13-6-7-13)15-8-5-12(11(2)17)10-14(15)16/h5,8,10-11,13H,3-4,6-7,9,17H2,1-2H3/t11-/m1/s1
InChIKeyQQLUCNYCJBMWHC-LLVKDONJSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline (CID 63368751) is 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline is CCCCN(c1ccc([C@@H](C)N)cc1F)C1CC1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline?
The InChIKey is QQLUCNYCJBMWHC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-4-9-18(13-6-7-13)15-8-5-12(11(2)17)10-14(15)16/h5,8,10-11,13H,3-4,6-7,9,17H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline?
4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline is sourced from PubChem (CID 63368751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).