[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine

C14H12Cl2FNO — CID 43621898

IUPAC[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(COc2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c15-11-4-12(16)6-13(5-11)19-8-10-2-1-9(7-18)3-14(10)17/h1-6H,7-8,18H2
InChIKeyNXSIXUIHGKHHJB-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds4

About [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine

[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine (PubChem CID 43621898) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
PubChem CID43621898
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(COc2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c15-11-4-12(16)6-13(5-11)19-8-10-2-1-9(7-18)3-14(10)17/h1-6H,7-8,18H2
InChIKeyNXSIXUIHGKHHJB-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-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531350
[4-[(2-chloro-6-fluorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 83050975
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
CID 43530931
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786294
[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine
CID 102773521
[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102663465
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide
CID 114849176

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine (CID 43621898) is [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine is NCc1ccc(COc2cc(Cl)cc(Cl)c2)c(F)c1.
What is the InChIKey of [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine?
The InChIKey is NXSIXUIHGKHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-11-4-12(16)6-13(5-11)19-8-10-2-1-9(7-18)3-14(10)17/h1-6H,7-8,18H2.
What are the key properties of [4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine?
[4-[(3,5-dichlorophenoxy)methyl]-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-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 43621898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).