N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide

C12H15FN2O — CID 169465434

IUPACN-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(F)cc1CN
InChIInChI=1S/C12H15FN2O/c1-9(16)15-6-2-3-10-4-5-12(13)7-11(10)8-14/h2-5,7H,6,8,14H2,1H3,(H,15,16)
InChIKeyYTSVLUPZDKWMKF-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.43
Rot. Bonds4

About N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide

N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide (PubChem CID 169465434) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide
PubChem CID169465434
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(F)cc1CN
InChIInChI=1S/C12H15FN2O/c1-9(16)15-6-2-3-10-4-5-12(13)7-11(10)8-14/h2-5,7H,6,8,14H2,1H3,(H,15,16)
InChIKeyYTSVLUPZDKWMKF-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(aminomethyl)-5-fluorophenyl]but-3-enyl]acetamide
CID 170488656
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
4-[2-(aminomethyl)-4-fluorophenyl]but-3-ene-1-thiol
CID 170478306
N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465555
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465950
N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464899
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
benzyl N-[3-[4-fluoro-2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471475
S-[3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enyl] ethanethioate
CID 169457191
N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465937

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide (CID 169465434) is N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(F)cc1CN.
What is the InChIKey of N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide?
The InChIKey is YTSVLUPZDKWMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9(16)15-6-2-3-10-4-5-12(13)7-11(10)8-14/h2-5,7H,6,8,14H2,1H3,(H,15,16).
What are the key properties of N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide?
N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide has a molecular weight of 222.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).