3-(5-fluoro-2-methoxyphenoxy)propan-1-amine

C10H14FNO2 — CID 15034471

IUPAC3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
SMILESCOc1ccc(F)cc1OCCCN
InChIInChI=1S/C10H14FNO2/c1-13-9-4-3-8(11)7-10(9)14-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyJXXRIXRRLIXBQE-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.56
Rot. Bonds5

About 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine

3-(5-fluoro-2-methoxyphenoxy)propan-1-amine (PubChem CID 15034471) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
PubChem CID15034471
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
SMILESCOc1ccc(F)cc1OCCCN
InChIInChI=1S/C10H14FNO2/c1-13-9-4-3-8(11)7-10(9)14-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyJXXRIXRRLIXBQE-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
2-(2-ethyl-4-fluorophenoxy)ethanamine
CID 152850030
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932
(1S)-1-(4-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224881
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine?
The IUPAC name of 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine (CID 15034471) is 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine is COc1ccc(F)cc1OCCCN.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine?
The InChIKey is JXXRIXRRLIXBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-9-4-3-8(11)7-10(9)14-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine?
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine has a molecular weight of 199.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenoxy)propan-1-amine is sourced from PubChem (CID 15034471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).