3-[1-(2-fluorophenyl)ethyl]aniline

C14H14FN — CID 144917250

IUPAC3-[1-(2-fluorophenyl)ethyl]aniline
SMILESCC(c1cccc(N)c1)c1ccccc1F
InChIInChI=1S/C14H14FN/c1-10(11-5-4-6-12(16)9-11)13-7-2-3-8-14(13)15/h2-10H,16H2,1H3
InChIKeyCERHDCRXEBNUEZ-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.56
Rot. Bonds2

About 3-[1-(2-fluorophenyl)ethyl]aniline

3-[1-(2-fluorophenyl)ethyl]aniline (PubChem CID 144917250) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethyl]aniline
PubChem CID144917250
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name3-[1-(2-fluorophenyl)ethyl]aniline
SMILESCC(c1cccc(N)c1)c1ccccc1F
InChIInChI=1S/C14H14FN/c1-10(11-5-4-6-12(16)9-11)13-7-2-3-8-14(13)15/h2-10H,16H2,1H3
InChIKeyCERHDCRXEBNUEZ-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 118363165
3-[1-(4-bromophenyl)ethyl]aniline
CID 155293877
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
3-[1-[(2,6-difluorophenyl)methyl-methylamino]ethyl]aniline
CID 114930497
1-[1-(3-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298097
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
3-[amino-(2,4-difluorophenyl)methyl]aniline
CID 116936583
(3-aminophenyl)-(2,4-difluorophenyl)methanol
CID 106695899
(2-amino-3-fluorophenyl)-phenylmethanol
CID 105470844

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethyl]aniline?
The IUPAC name of 3-[1-(2-fluorophenyl)ethyl]aniline (CID 144917250) is 3-[1-(2-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethyl]aniline?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethyl]aniline is CC(c1cccc(N)c1)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethyl]aniline?
The InChIKey is CERHDCRXEBNUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-10(11-5-4-6-12(16)9-11)13-7-2-3-8-14(13)15/h2-10H,16H2,1H3.
What are the key properties of 3-[1-(2-fluorophenyl)ethyl]aniline?
3-[1-(2-fluorophenyl)ethyl]aniline has a molecular weight of 215.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 144917250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).