2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine

C18H22FNO2 — CID 91159456

IUPAC2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCCCc1ccccc1F
InChIInChI=1S/C18H22FNO2/c1-21-18-13-14(10-11-20)8-9-17(18)22-12-4-6-15-5-2-3-7-16(15)19/h2-3,5,7-9,13H,4,6,10-12,20H2,1H3
InChIKeyVIZKDIKOZFLKFS-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.35
Rot. Bonds8

About 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine

2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine (PubChem CID 91159456) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
PubChem CID91159456
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCCCc1ccccc1F
InChIInChI=1S/C18H22FNO2/c1-21-18-13-14(10-11-20)8-9-17(18)22-12-4-6-15-5-2-3-7-16(15)19/h2-3,5,7-9,13H,4,6,10-12,20H2,1H3
InChIKeyVIZKDIKOZFLKFS-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.35
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

2-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine (CID 91159456) is 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine is COc1cc(CCN)ccc1OCCCc1ccccc1F.
What is the InChIKey of 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is VIZKDIKOZFLKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-21-18-13-14(10-11-20)8-9-17(18)22-12-4-6-15-5-2-3-7-16(15)19/h2-3,5,7-9,13H,4,6,10-12,20H2,1H3.
What are the key properties of 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine?
2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 303.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 91159456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).