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

C14H13F2NO — CID 16791044

IUPAC[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccccc1COc1ccc(F)cc1F
InChIInChI=1S/C14H13F2NO/c15-12-5-6-14(13(16)7-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,8-9,17H2
InChIKeyPKDKFWHJCGYPPU-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.00
Rot. Bonds4

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

[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine (PubChem CID 16791044) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
PubChem CID16791044
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccccc1COc1ccc(F)cc1F
InChIInChI=1S/C14H13F2NO/c15-12-5-6-14(13(16)7-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,8-9,17H2
InChIKeyPKDKFWHJCGYPPU-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007
2-[(2,4-difluorophenoxy)methyl]benzaldehyde
CID 87366498
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine (CID 16791044) is [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine is NCc1ccccc1COc1ccc(F)cc1F.
What is the InChIKey of [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine?
The InChIKey is PKDKFWHJCGYPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-5-6-14(13(16)7-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,8-9,17H2.
What are the key properties of [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine?
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine has a molecular weight of 249.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 16791044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).