3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine

C11H12ClF2NO — CID 79328704

IUPAC3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine
SMILESCC(=Cc1cc(Cl)ccc1OC(F)F)CN
InChIInChI=1S/C11H12ClF2NO/c1-7(6-15)4-8-5-9(12)2-3-10(8)16-11(13)14/h2-5,11H,6,15H2,1H3
InChIKeyJMRFATLVPGDPHH-UHFFFAOYSA-N
MW247.67 g/mol
LogP3.30
Rot. Bonds4

About 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine

3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine (PubChem CID 79328704) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine
PubChem CID79328704
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine
SMILESCC(=Cc1cc(Cl)ccc1OC(F)F)CN
InChIInChI=1S/C11H12ClF2NO/c1-7(6-15)4-8-5-9(12)2-3-10(8)16-11(13)14/h2-5,11H,6,15H2,1H3
InChIKeyJMRFATLVPGDPHH-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(bromomethyl)but-1-enyl]-4-chloro-1-(difluoromethoxy)benzene
CID 79322341
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
CID 79330049
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321875
2-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-1-fluorobenzene
CID 114867402
[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
CID 75485810
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
5-chloro-2-(difluoromethoxy)benzenethiol
CID 130775302
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid
CID 170872496

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine?
The IUPAC name of 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine (CID 79328704) is 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine is CC(=Cc1cc(Cl)ccc1OC(F)F)CN.
What is the InChIKey of 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine?
The InChIKey is JMRFATLVPGDPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-7(6-15)4-8-5-9(12)2-3-10(8)16-11(13)14/h2-5,11H,6,15H2,1H3.
What are the key properties of 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine?
3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine has a molecular weight of 247.67 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79328704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).