3-(3-fluorophenoxy)-2-methoxypropan-1-amine

C10H14FNO2 — CID 105452028

IUPAC3-(3-fluorophenoxy)-2-methoxypropan-1-amine
SMILESCOC(CN)COc1cccc(F)c1
InChIInChI=1S/C10H14FNO2/c1-13-10(6-12)7-14-9-4-2-3-8(11)5-9/h2-5,10H,6-7,12H2,1H3
InChIKeyFUPIGZHDHYCBQC-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.18
Rot. Bonds5

About 3-(3-fluorophenoxy)-2-methoxypropan-1-amine

3-(3-fluorophenoxy)-2-methoxypropan-1-amine (PubChem CID 105452028) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-2-methoxypropan-1-amine
PubChem CID105452028
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name3-(3-fluorophenoxy)-2-methoxypropan-1-amine
SMILESCOC(CN)COc1cccc(F)c1
InChIInChI=1S/C10H14FNO2/c1-13-10(6-12)7-14-9-4-2-3-8(11)5-9/h2-5,10H,6-7,12H2,1H3
InChIKeyFUPIGZHDHYCBQC-UHFFFAOYSA-N
XLogP1.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
CID 70653682
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538
4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
CID 120593422
1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
CID 115905482
(3S)-3-(aminomethyl)-6-(3-fluorophenoxy)-5-methylhexanoic acid
CID 68520307
1-[2-(bromomethyl)-3-methylbutoxy]-3-fluorobenzene
CID 65012281
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 117243022
2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350731
3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
CID 63069680

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-2-methoxypropan-1-amine?
The IUPAC name of 3-(3-fluorophenoxy)-2-methoxypropan-1-amine (CID 105452028) is 3-(3-fluorophenoxy)-2-methoxypropan-1-amine.
What is the SMILES notation for 3-(3-fluorophenoxy)-2-methoxypropan-1-amine?
The canonical SMILES for 3-(3-fluorophenoxy)-2-methoxypropan-1-amine is COC(CN)COc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-2-methoxypropan-1-amine?
The InChIKey is FUPIGZHDHYCBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-10(6-12)7-14-9-4-2-3-8(11)5-9/h2-5,10H,6-7,12H2,1H3.
What are the key properties of 3-(3-fluorophenoxy)-2-methoxypropan-1-amine?
3-(3-fluorophenoxy)-2-methoxypropan-1-amine has a molecular weight of 199.23 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-2-methoxypropan-1-amine is sourced from PubChem (CID 105452028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).