3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine

C17H20FNO2 — CID 170879087

IUPAC3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
SMILESCOc1ccc(CCCN)cc1OCc1ccccc1F
InChIInChI=1S/C17H20FNO2/c1-20-16-9-8-13(5-4-10-19)11-17(16)21-12-14-6-2-3-7-15(14)18/h2-3,6-9,11H,4-5,10,12,19H2,1H3
InChIKeyLEFJOAIHIDHOQN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.30
Rot. Bonds7

About 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine

3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine (PubChem CID 170879087) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
PubChem CID170879087
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
SMILESCOc1ccc(CCCN)cc1OCc1ccccc1F
InChIInChI=1S/C17H20FNO2/c1-20-16-9-8-13(5-4-10-19)11-17(16)21-12-14-6-2-3-7-15(14)18/h2-3,6-9,11H,4-5,10,12,19H2,1H3
InChIKeyLEFJOAIHIDHOQN-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propan-1-amine
CID 165355065
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
CID 91159456
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82161145
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531064
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
2-(3,4-dimethoxyphenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4715843

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine (CID 170879087) is 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine is COc1ccc(CCCN)cc1OCc1ccccc1F.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine?
The InChIKey is LEFJOAIHIDHOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-16-9-8-13(5-4-10-19)11-17(16)21-12-14-6-2-3-7-15(14)18/h2-3,6-9,11H,4-5,10,12,19H2,1H3.
What are the key properties of 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine?
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 170879087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).