3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline

C13H21FN2 — CID 106532176

IUPAC3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1cc(F)cc(CCN)c1
InChIInChI=1S/C13H21FN2/c1-10(2)9-16(3)13-7-11(4-5-15)6-12(14)8-13/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyAOCNTQQWWSNBKI-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.42
Rot. Bonds5

About 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline

3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline (PubChem CID 106532176) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
PubChem CID106532176
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1cc(F)cc(CCN)c1
InChIInChI=1S/C13H21FN2/c1-10(2)9-16(3)13-7-11(4-5-15)6-12(14)8-13/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyAOCNTQQWWSNBKI-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 63782370
3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 106532442
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 106532278
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532663
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline
CID 106532649
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide
CID 102813438
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
CID 102814302
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline (CID 106532176) is 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline is CC(C)CN(C)c1cc(F)cc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline?
The InChIKey is AOCNTQQWWSNBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(2)9-16(3)13-7-11(4-5-15)6-12(14)8-13/h6-8,10H,4-5,9,15H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline?
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline has a molecular weight of 224.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 106532176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).