[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine

C14H12Cl2FNO — CID 112607809

IUPAC[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cccc(Cl)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-11-4-2-6-13(17)10(11)8-19-14-9(7-18)3-1-5-12(14)16/h1-6H,7-8,18H2
InChIKeyWUIYEAPLTFQORG-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds4

About [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine

[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 112607809) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID112607809
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cccc(Cl)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-11-4-2-6-13(17)10(11)8-19-14-9(7-18)3-1-5-12(14)16/h1-6H,7-8,18H2
InChIKeyWUIYEAPLTFQORG-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

Analyze [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
CID 55200768
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine (CID 112607809) is [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine is NCc1cccc(Cl)c1OCc1c(F)cccc1Cl.
What is the InChIKey of [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is WUIYEAPLTFQORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-11-4-2-6-13(17)10(11)8-19-14-9(7-18)3-1-5-12(14)16/h1-6H,7-8,18H2.
What are the key properties of [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine?
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]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 [3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).