N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine

C11H14FN — CID 79347239

IUPACN-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine
SMILESCCNCC=Cc1ccccc1F
InChIInChI=1S/C11H14FN/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h3-8,13H,2,9H2,1H3
InChIKeyLZRVWKWJRMKWHU-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.45
Rot. Bonds4

About N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine

N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine (PubChem CID 79347239) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine
PubChem CID79347239
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine
SMILESCCNCC=Cc1ccccc1F
InChIInChI=1S/C11H14FN/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h3-8,13H,2,9H2,1H3
InChIKeyLZRVWKWJRMKWHU-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(2-methylphenyl)prop-2-en-1-amine
CID 79347344
3-(4-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347354
(E)-4-(2-fluorophenyl)-3-[[[(Z)-3-(2-fluorophenyl)prop-2-enyl]amino]methyl]but-3-en-2-one
CID 139472358
3-(2-fluorophenyl)prop-2-ene-1-thiol
CID 169454551
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
CID 84820301
3-(3,4-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347465
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate
CID 101422727
N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 79347467
(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride
CID 83715559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine (CID 79347239) is N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine is CCNCC=Cc1ccccc1F.
What is the InChIKey of N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine?
The InChIKey is LZRVWKWJRMKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h3-8,13H,2,9H2,1H3.
What are the key properties of N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine?
N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 79347239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).