N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide

C14H19FN2O3 — CID 137473320

IUPACN-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide
SMILESCOCCN(C=O)c1ccc(OC/C(=C/F)CN)cc1
InChIInChI=1S/C14H19FN2O3/c1-19-7-6-17(11-18)13-2-4-14(5-3-13)20-10-12(8-15)9-16/h2-5,8,11H,6-7,9-10,16H2,1H3/b12-8+
InChIKeyCRIPWRLCYDUAQC-XYOKQWHBSA-N
MW282.31 g/mol
LogP1.49
Rot. Bonds9

About N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide

N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide (PubChem CID 137473320) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide
PubChem CID137473320
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide
SMILESCOCCN(C=O)c1ccc(OC/C(=C/F)CN)cc1
InChIInChI=1S/C14H19FN2O3/c1-19-7-6-17(11-18)13-2-4-14(5-3-13)20-10-12(8-15)9-16/h2-5,8,11H,6-7,9-10,16H2,1H3/b12-8+
InChIKeyCRIPWRLCYDUAQC-XYOKQWHBSA-N
XLogP1.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]thiohydroxylamine
CID 134376744
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
(E)-3-fluoro-2-[[4-(methylaminosulfanyl)phenoxy]methyl]prop-2-en-1-amine
CID 134377206
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-ethylbenzenesulfonamide
CID 118117193
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-methyl-N-propan-2-ylbenzenesulfinamide
CID 137468653
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzenesulfonamide
CID 118117304
N-(2-ethoxyethyl)-N-(4-methoxyphenyl)formamide
CID 2038996
4-[4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-[2-(2-methoxyethoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide
CID 146623817
5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride
CID 155141729
3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 142460811
(E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 137473553

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide?
The IUPAC name of N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide (CID 137473320) is N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide.
What is the SMILES notation for N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide?
The canonical SMILES for N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide is COCCN(C=O)c1ccc(OC/C(=C/F)CN)cc1.
What is the InChIKey of N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide?
The InChIKey is CRIPWRLCYDUAQC-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-19-7-6-17(11-18)13-2-4-14(5-3-13)20-10-12(8-15)9-16/h2-5,8,11H,6-7,9-10,16H2,1H3/b12-8+.
What are the key properties of N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide?
N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide has a molecular weight of 282.31 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-(2-methoxyethyl)formamide is sourced from PubChem (CID 137473320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).