5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine

C14H22FNO — CID 116925225

IUPAC5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
SMILESCCOc1ccc(CCCC(C)(C)N)cc1F
InChIInChI=1S/C14H22FNO/c1-4-17-13-8-7-11(10-12(13)15)6-5-9-14(2,3)16/h7-8,10H,4-6,9,16H2,1-3H3
InChIKeyBYEJLUGOTWDCSQ-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.28
Rot. Bonds6

About 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine

5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine (PubChem CID 116925225) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
PubChem CID116925225
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
SMILESCCOc1ccc(CCCC(C)(C)N)cc1F
InChIInChI=1S/C14H22FNO/c1-4-17-13-8-7-11(10-12(13)15)6-5-9-14(2,3)16/h7-8,10H,4-6,9,16H2,1-3H3
InChIKeyBYEJLUGOTWDCSQ-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 95447001
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200177
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
CID 115005524
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine (CID 116925225) is 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine is CCOc1ccc(CCCC(C)(C)N)cc1F.
What is the InChIKey of 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine?
The InChIKey is BYEJLUGOTWDCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-17-13-8-7-11(10-12(13)15)6-5-9-14(2,3)16/h7-8,10H,4-6,9,16H2,1-3H3.
What are the key properties of 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine?
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 116925225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).