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

C14H12Cl2FNO — CID 107686337

IUPAC[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c15-11-3-1-10(5-12(11)16)8-19-14-4-2-9(7-18)6-13(14)17/h1-6H,7-8,18H2
InChIKeyWWOWJVPYSNVHBC-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds4

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

[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 107686337) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
PubChem CID107686337
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H12Cl2FNO/c15-11-3-1-10(5-12(11)16)8-19-14-4-2-9(7-18)6-13(14)17/h1-6H,7-8,18H2
InChIKeyWWOWJVPYSNVHBC-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

[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107686277
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
CID 107686259
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686227
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine (CID 107686337) is [4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine is NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is WWOWJVPYSNVHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-11-3-1-10(5-12(11)16)8-19-14-4-2-9(7-18)6-13(14)17/h1-6H,7-8,18H2.
What are the key properties of [4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine?
[4-[(3,4-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-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 107686337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).