4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide

C14H19FN2O2 — CID 123918652

IUPAC4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide
SMILESCc1cc(OCC(=CF)CN)ccc1C(=O)N(C)C
InChIInChI=1S/C14H19FN2O2/c1-10-6-12(19-9-11(7-15)8-16)4-5-13(10)14(18)17(2)3/h4-7H,8-9,16H2,1-3H3
InChIKeyRIQMKFDFQPGUSV-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.89
Rot. Bonds5

About 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide

4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide (PubChem CID 123918652) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide
PubChem CID123918652
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide
SMILESCc1cc(OCC(=CF)CN)ccc1C(=O)N(C)C
InChIInChI=1S/C14H19FN2O2/c1-10-6-12(19-9-11(7-15)8-16)4-5-13(10)14(18)17(2)3/h4-7H,8-9,16H2,1-3H3
InChIKeyRIQMKFDFQPGUSV-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide
CID 146477341
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247
S-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]thiohydroxylamine
CID 134376744
ethyl (E)-3-[2-acetamido-5-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-2-methylprop-2-enoate
CID 175001618
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
CID 146427565
5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride
CID 155141729
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-methyl-N-propan-2-ylbenzenesulfinamide
CID 137468653
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-[2-[tert-butyl(methyl)amino]ethyl]benzaldehyde
CID 155151137
N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide
CID 146492847
ethyl (E)-3-[2-acetamido-4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-2-methylprop-2-enoate
CID 137473329
7-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 142613389

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide (CID 123918652) is 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide is Cc1cc(OCC(=CF)CN)ccc1C(=O)N(C)C.
What is the InChIKey of 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide?
The InChIKey is RIQMKFDFQPGUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-6-12(19-9-11(7-15)8-16)4-5-13(10)14(18)17(2)3/h4-7H,8-9,16H2,1-3H3.
What are the key properties of 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide?
4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 123918652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).