4-[(1R)-2-amino-1-fluoroethyl]aniline

C8H11FN2 — CID 124660461

IUPAC4-[(1R)-2-amino-1-fluoroethyl]aniline
SMILESNC[C@H](F)c1ccc(N)cc1
InChIInChI=1S/C8H11FN2/c9-8(5-10)6-1-3-7(11)4-2-6/h1-4,8H,5,10-11H2/t8-/m0/s1
InChIKeyMIXGIEXWSKYASH-QMMMGPOBSA-N
MW154.19 g/mol
LogP1.24
Rot. Bonds2

About 4-[(1R)-2-amino-1-fluoroethyl]aniline

4-[(1R)-2-amino-1-fluoroethyl]aniline (PubChem CID 124660461) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 4-[(1R)-2-amino-1-fluoroethyl]aniline.

Molecular Properties

Compound Name4-[(1R)-2-amino-1-fluoroethyl]aniline
PubChem CID124660461
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name4-[(1R)-2-amino-1-fluoroethyl]aniline
SMILESNC[C@H](F)c1ccc(N)cc1
InChIInChI=1S/C8H11FN2/c9-8(5-10)6-1-3-7(11)4-2-6/h1-4,8H,5,10-11H2/t8-/m0/s1
InChIKeyMIXGIEXWSKYASH-QMMMGPOBSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
CID 129393037
2-fluoro-2-pyridin-4-ylethanamine
CID 83854923
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
4-(difluoromethyl)aniline;ethane
CID 178149856
3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
4-(1-fluoro-2-methylpropyl)aniline
CID 83855607
2-[3-(4-aminophenyl)butan-2-yl]propane-1,3-diamine
CID 83928445
2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine
CID 105424599
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
4-[1-(4-aminophenyl)but-3-enyl]aniline
CID 67940159
4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
CID 11289344
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-amino-1-fluoroethyl]aniline?
The IUPAC name of 4-[(1R)-2-amino-1-fluoroethyl]aniline (CID 124660461) is 4-[(1R)-2-amino-1-fluoroethyl]aniline.
What is the SMILES notation for 4-[(1R)-2-amino-1-fluoroethyl]aniline?
The canonical SMILES for 4-[(1R)-2-amino-1-fluoroethyl]aniline is NC[C@H](F)c1ccc(N)cc1.
What is the InChIKey of 4-[(1R)-2-amino-1-fluoroethyl]aniline?
The InChIKey is MIXGIEXWSKYASH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11FN2/c9-8(5-10)6-1-3-7(11)4-2-6/h1-4,8H,5,10-11H2/t8-/m0/s1.
What are the key properties of 4-[(1R)-2-amino-1-fluoroethyl]aniline?
4-[(1R)-2-amino-1-fluoroethyl]aniline has a molecular weight of 154.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-amino-1-fluoroethyl]aniline is sourced from PubChem (CID 124660461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).