4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline

C14H23FN2 — CID 55236964

IUPAC4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1ccc(CCN)cc1F
InChIInChI=1S/C14H23FN2/c1-4-12(5-2)17(3)14-7-6-11(8-9-16)10-13(14)15/h6-7,10,12H,4-5,8-9,16H2,1-3H3
InChIKeyQWEGREFPWQUPOZ-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.95
Rot. Bonds6

About 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline

4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline (PubChem CID 55236964) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline
PubChem CID55236964
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1ccc(CCN)cc1F
InChIInChI=1S/C14H23FN2/c1-4-12(5-2)17(3)14-7-6-11(8-9-16)10-13(14)15/h6-7,10,12H,4-5,8-9,16H2,1-3H3
InChIKeyQWEGREFPWQUPOZ-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline?
The IUPAC name of 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline (CID 55236964) is 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline is CCC(CC)N(C)c1ccc(CCN)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline?
The InChIKey is QWEGREFPWQUPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-12(5-2)17(3)14-7-6-11(8-9-16)10-13(14)15/h6-7,10,12H,4-5,8-9,16H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline?
4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline has a molecular weight of 238.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline is sourced from PubChem (CID 55236964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).