1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine

C16H18FNO — CID 18071110

IUPAC1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1ccccc1F
InChIInChI=1S/C16H18FNO/c1-2-15(18)13-8-4-6-10-16(13)19-11-12-7-3-5-9-14(12)17/h3-10,15H,2,11,18H2,1H3
InChIKeyXYOUMSYHXHPCSQ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine

1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 18071110) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
PubChem CID18071110
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1ccccc1F
InChIInChI=1S/C16H18FNO/c1-2-15(18)13-8-4-6-10-16(13)19-11-12-7-3-5-9-14(12)17/h3-10,15H,2,11,18H2,1H3
InChIKeyXYOUMSYHXHPCSQ-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
5-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879480

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine (CID 18071110) is 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccccc1OCc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is XYOUMSYHXHPCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-15(18)13-8-4-6-10-16(13)19-11-12-7-3-5-9-14(12)17/h3-10,15H,2,11,18H2,1H3.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine?
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 18071110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).