[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine

C14H12Cl2FNO — CID 107686326

IUPAC[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2cccc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c15-11-3-1-2-10(14(11)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6H,7-8,18H2
InChIKeyMLYPBIBPLFEPLG-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds4

About [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine

[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 107686326) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
PubChem CID107686326
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2cccc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c15-11-3-1-2-10(14(11)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6H,7-8,18H2
InChIKeyMLYPBIBPLFEPLG-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690673
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
4-[(2,3-dichlorophenyl)methoxy]-3-fluorobenzenecarbothioamide
CID 107665851
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107686265
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
[4-[(2-chloro-6-fluorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 83050975
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine (CID 107686326) is [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine is NCc1ccc(OCc2cccc(Cl)c2Cl)c(F)c1.
What is the InChIKey of [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is MLYPBIBPLFEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-11-3-1-2-10(14(11)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6H,7-8,18H2.
What are the key properties of [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine?
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 300.16 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 107686326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).