4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine

C16H26FNO2 — CID 83923062

IUPAC4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine
SMILESCCOc1cc(F)c(C(CC)CCCN)cc1OCC
InChIInChI=1S/C16H26FNO2/c1-4-12(8-7-9-18)13-10-15(19-5-2)16(20-6-3)11-14(13)17/h10-12H,4-9,18H2,1-3H3
InChIKeyNFHIRMOFHZRUDM-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.86
Rot. Bonds9

About 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine

4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine (PubChem CID 83923062) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine.

Molecular Properties

Compound Name4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine
PubChem CID83923062
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine
SMILESCCOc1cc(F)c(C(CC)CCCN)cc1OCC
InChIInChI=1S/C16H26FNO2/c1-4-12(8-7-9-18)13-10-15(19-5-2)16(20-6-3)11-14(13)17/h10-12H,4-9,18H2,1-3H3
InChIKeyNFHIRMOFHZRUDM-UHFFFAOYSA-N
XLogP3.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
CID 83939793
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
3-(4,5-diethoxy-2-fluorophenyl)butane-1-thiol
CID 83923057
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
4-(2,5-dichlorophenyl)hexan-1-amine
CID 83931331
6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one
CID 83922709
ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
CID 143471834
3-(4,5-diethoxy-2-fluorophenyl)butanethioamide
CID 83923104
5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine?
The IUPAC name of 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine (CID 83923062) is 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine.
What is the SMILES notation for 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine?
The canonical SMILES for 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine is CCOc1cc(F)c(C(CC)CCCN)cc1OCC.
What is the InChIKey of 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine?
The InChIKey is NFHIRMOFHZRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-4-12(8-7-9-18)13-10-15(19-5-2)16(20-6-3)11-14(13)17/h10-12H,4-9,18H2,1-3H3.
What are the key properties of 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine?
4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine is sourced from PubChem (CID 83923062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).