1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine

C16H17F2NO — CID 114930018

IUPAC1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-2-15(19)11-6-3-4-9-16(11)20-10-12-13(17)7-5-8-14(12)18/h3-9,15H,2,10,19H2,1H3
InChIKeyWRMBQAJDVRWVNE-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.95
Rot. Bonds5

About 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine

1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 114930018) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
PubChem CID114930018
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-2-15(19)11-6-3-4-9-16(11)20-10-12-13(17)7-5-8-14(12)18/h3-9,15H,2,10,19H2,1H3
InChIKeyWRMBQAJDVRWVNE-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
CID 63501481
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
5-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879480
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine (CID 114930018) is 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccccc1OCc1c(F)cccc1F.
What is the InChIKey of 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is WRMBQAJDVRWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-15(19)11-6-3-4-9-16(11)20-10-12-13(17)7-5-8-14(12)18/h3-9,15H,2,10,19H2,1H3.
What are the key properties of 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine?
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 114930018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).