2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine

C15H13ClF3NO — CID 102858122

IUPAC2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(OCc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C15H13ClF3NO/c16-11-3-1-2-10(14(11)19)8-21-15-12(17)6-9(4-5-20)7-13(15)18/h1-3,6-7H,4-5,8,20H2
InChIKeyJRMGVCQDHKTADV-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.84
Rot. Bonds5

About 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine

2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine (PubChem CID 102858122) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
PubChem CID102858122
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(OCc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C15H13ClF3NO/c16-11-3-1-2-10(14(11)19)8-21-15-12(17)6-9(4-5-20)7-13(15)18/h1-3,6-7H,4-5,8,20H2
InChIKeyJRMGVCQDHKTADV-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine 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-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline
CID 102855336
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
[4-[(2-chloro-6-fluorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 83050975
2-[3-chloro-4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine (CID 102858122) is 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine is NCCc1cc(F)c(OCc2cccc(Cl)c2F)c(F)c1.
What is the InChIKey of 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine?
The InChIKey is JRMGVCQDHKTADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-3-1-2-10(14(11)19)8-21-15-12(17)6-9(4-5-20)7-13(15)18/h1-3,6-7H,4-5,8,20H2.
What are the key properties of 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine?
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine has a molecular weight of 315.72 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 102858122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).