[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine

C15H14ClF2NO — CID 116788441

IUPAC[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC(F)(F)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c16-13-8-11(9-19)6-7-14(13)20-10-15(17,18)12-4-2-1-3-5-12/h1-8H,9-10,19H2
InChIKeySSGXSIIWUAGFBP-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.97
Rot. Bonds5

About [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine

[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine (PubChem CID 116788441) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine
PubChem CID116788441
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC(F)(F)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c16-13-8-11(9-19)6-7-14(13)20-10-15(17,18)12-4-2-1-3-5-12/h1-8H,9-10,19H2
InChIKeySSGXSIIWUAGFBP-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine 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

(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 104893345
(1S)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 104893346
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
CID 104893422
[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
CID 116788616
3,5-dichloro-4-(2,2-difluoro-2-phenylethoxy)aniline
CID 116788470
2-(bromomethyl)-1-chloro-3-(2,2-difluoro-2-phenylethoxy)benzene
CID 116789818
3-chloro-2-(2,2-difluoro-2-phenylethoxy)aniline
CID 107716169
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
2-[3-chloro-2-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 116790215
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine (CID 116788441) is [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine is NCc1ccc(OCC(F)(F)c2ccccc2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine?
The InChIKey is SSGXSIIWUAGFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-13-8-11(9-19)6-7-14(13)20-10-15(17,18)12-4-2-1-3-5-12/h1-8H,9-10,19H2.
What are the key properties of [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine?
[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine has a molecular weight of 297.73 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine is sourced from PubChem (CID 116788441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).