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

C14H11ClF3NO — CID 102615256

IUPAC[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(OCc2cc(F)ccc2Cl)c(F)c1
InChIInChI=1S/C14H11ClF3NO/c15-11-2-1-10(16)5-9(11)7-20-14-12(17)3-8(6-19)4-13(14)18/h1-5H,6-7,19H2
InChIKeyBITSUSQDWJXIMF-UHFFFAOYSA-N
MW301.69 g/mol
LogP3.80
Rot. Bonds4

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

[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine (PubChem CID 102615256) has the molecular formula C14H11ClF3NO and a molecular weight of 301.69 g/mol. Its IUPAC name is [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
PubChem CID102615256
Molecular FormulaC14H11ClF3NO
Molecular Weight301.69 g/mol
Exact Mass301.05
IUPAC Name[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(OCc2cc(F)ccc2Cl)c(F)c1
InChIInChI=1S/C14H11ClF3NO/c15-11-2-1-10(16)5-9(11)7-20-14-12(17)3-8(6-19)4-13(14)18/h1-5H,6-7,19H2
InChIKeyBITSUSQDWJXIMF-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine with MolForge

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Related Compounds

[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
5-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-1,3-difluorobenzene
CID 79888589
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
4-[[4-(aminomethyl)-2,6-difluorophenoxy]methyl]-3-chlorobenzonitrile
CID 102663702
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
CID 102615065
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine (CID 102615256) is [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine is NCc1cc(F)c(OCc2cc(F)ccc2Cl)c(F)c1.
What is the InChIKey of [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The InChIKey is BITSUSQDWJXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-11-2-1-10(16)5-9(11)7-20-14-12(17)3-8(6-19)4-13(14)18/h1-5H,6-7,19H2.
What are the key properties of [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine?
[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine has a molecular weight of 301.69 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 102615256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).