4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine

C17H20FNO2 — CID 82138439

IUPAC4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
SMILESCOc1cccc(C(CN)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-20-17-4-2-3-13(11-17)14(12-19)9-10-21-16-7-5-15(18)6-8-16/h2-8,11,14H,9-10,12,19H2,1H3
InChIKeyAOMJPCBPSUHDHE-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.35
Rot. Bonds7

About 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine

4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine (PubChem CID 82138439) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
PubChem CID82138439
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
SMILESCOc1cccc(C(CN)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-20-17-4-2-3-13(11-17)14(12-19)9-10-21-16-7-5-15(18)6-8-16/h2-8,11,14H,9-10,12,19H2,1H3
InChIKeyAOMJPCBPSUHDHE-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
CID 82138332
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
CID 82138041
4-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine?
The IUPAC name of 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine (CID 82138439) is 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine is COc1cccc(C(CN)CCOc2ccc(F)cc2)c1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine?
The InChIKey is AOMJPCBPSUHDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-17-4-2-3-13(11-17)14(12-19)9-10-21-16-7-5-15(18)6-8-16/h2-8,11,14H,9-10,12,19H2,1H3.
What are the key properties of 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine?
4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 82138439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).