3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine

C10H11ClFN — CID 169473168

IUPAC3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFN/c1-13-6-2-3-8-4-5-9(12)7-10(8)11/h2-5,7,13H,6H2,1H3
InChIKeyNBTAPPFFWYKZKK-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.71
Rot. Bonds3

About 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine

3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 169473168) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
PubChem CID169473168
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFN/c1-13-6-2-3-8-4-5-9(12)7-10(8)11/h2-5,7,13H,6H2,1H3
InChIKeyNBTAPPFFWYKZKK-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene
CID 167530794
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
2-chloro-4-fluoro-N-methylaniline
CID 21161232
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine
CID 169474297
[3-fluoro-4-[3-(methylamino)prop-1-enyl]phenyl]methanol
CID 169473492
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine (CID 169473168) is 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine is CNCC=Cc1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is NBTAPPFFWYKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-13-6-2-3-8-4-5-9(12)7-10(8)11/h2-5,7,13H,6H2,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine?
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 199.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).