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

C17H20FNO2 — CID 82138375

IUPAC4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(C(CN)CCOc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO2/c1-20-15-8-6-13(7-9-15)14(12-19)10-11-21-17-5-3-2-4-16(17)18/h2-9,14H,10-12,19H2,1H3
InChIKeyOSIOXGOANRCVJZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.35
Rot. Bonds7

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

4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine (PubChem CID 82138375) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
PubChem CID82138375
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(C(CN)CCOc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO2/c1-20-15-8-6-13(7-9-15)14(12-19)10-11-21-17-5-3-2-4-16(17)18/h2-9,14H,10-12,19H2,1H3
InChIKeyOSIOXGOANRCVJZ-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

4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
CID 82138009
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
1-amino-4-(2-fluorophenoxy)butan-2-ol
CID 55268408
2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 82137983
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine
CID 82137950

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine?
The IUPAC name of 4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine (CID 82138375) is 4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine is COc1ccc(C(CN)CCOc2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine?
The InChIKey is OSIOXGOANRCVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-15-8-6-13(7-9-15)14(12-19)10-11-21-17-5-3-2-4-16(17)18/h2-9,14H,10-12,19H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine?
4-(2-fluorophenoxy)-2-(4-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-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 82138375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).