4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine

C18H22FNO2 — CID 82138103

IUPAC4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
SMILESCCOc1cccc(OCCC(CN)c2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO2/c1-2-21-17-4-3-5-18(12-17)22-11-10-15(13-20)14-6-8-16(19)9-7-14/h3-9,12,15H,2,10-11,13,20H2,1H3
InChIKeyFTFIWWHWKYIHNQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.74
Rot. Bonds8

About 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine

4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine (PubChem CID 82138103) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
PubChem CID82138103
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
SMILESCCOc1cccc(OCCC(CN)c2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO2/c1-2-21-17-4-3-5-18(12-17)22-11-10-15(13-20)14-6-8-16(19)9-7-14/h3-9,12,15H,2,10-11,13,20H2,1H3
InChIKeyFTFIWWHWKYIHNQ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
CID 82138041
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638
4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
CID 82138332
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
2-(4-fluorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79442251
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
2-(4-fluorophenyl)heptan-1-amine
CID 79442393

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine?
The IUPAC name of 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine (CID 82138103) is 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine.
What is the SMILES notation for 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine?
The canonical SMILES for 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine is CCOc1cccc(OCCC(CN)c2ccc(F)cc2)c1.
What is the InChIKey of 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine?
The InChIKey is FTFIWWHWKYIHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-21-17-4-3-5-18(12-17)22-11-10-15(13-20)14-6-8-16(19)9-7-14/h3-9,12,15H,2,10-11,13,20H2,1H3.
What are the key properties of 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine?
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine has a molecular weight of 303.38 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine is sourced from PubChem (CID 82138103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).