[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine

C14H12ClF2NO — CID 102663575

IUPAC[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NO/c15-11-6-9(7-18)4-5-10(11)8-19-13-3-1-2-12(16)14(13)17/h1-6H,7-8,18H2
InChIKeyFVZVWQZQDFLNML-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.66
Rot. Bonds4

About [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine

[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine (PubChem CID 102663575) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
PubChem CID102663575
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NO/c15-11-6-9(7-18)4-5-10(11)8-19-13-3-1-2-12(16)14(13)17/h1-6H,7-8,18H2
InChIKeyFVZVWQZQDFLNML-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 102665921
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
[4-[(2-chloro-6-fluorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 83050975
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine (CID 102663575) is [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine is NCc1ccc(COc2cccc(F)c2F)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine?
The InChIKey is FVZVWQZQDFLNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-11-6-9(7-18)4-5-10(11)8-19-13-3-1-2-12(16)14(13)17/h1-6H,7-8,18H2.
What are the key properties of [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine?
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine has a molecular weight of 283.71 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 102663575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).