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

C17H28FNO2 — CID 83923067

IUPAC1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(OCC)c(OCC)cc1F
InChIInChI=1S/C17H28FNO2/c1-4-8-14(19)10-7-9-13-11-16(20-5-2)17(21-6-3)12-15(13)18/h11-12,14H,4-10,19H2,1-3H3
InChIKeyCXLOCEFDKDFBCH-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.07
Rot. Bonds10

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

1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine (PubChem CID 83923067) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine
PubChem CID83923067
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(OCC)c(OCC)cc1F
InChIInChI=1S/C17H28FNO2/c1-4-8-14(19)10-7-9-13-11-16(20-5-2)17(21-6-3)12-15(13)18/h11-12,14H,4-10,19H2,1-3H3
InChIKeyCXLOCEFDKDFBCH-UHFFFAOYSA-N
XLogP4.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-diethoxy-2-fluorophenyl)heptane-3,4-diol
CID 83923176
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
CID 83941650
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
CID 83943152
1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
CID 83923126
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
1,2-diethoxy-4-fluoro-5-hex-3-ynylbenzene
CID 83923131
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
4-(2-fluoro-4,5-dipropoxyphenyl)butanethioamide
CID 83923221
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine?
The IUPAC name of 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine (CID 83923067) is 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine.
What is the SMILES notation for 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine?
The canonical SMILES for 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine is CCCC(N)CCCc1cc(OCC)c(OCC)cc1F.
What is the InChIKey of 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine?
The InChIKey is CXLOCEFDKDFBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-4-8-14(19)10-7-9-13-11-16(20-5-2)17(21-6-3)12-15(13)18/h11-12,14H,4-10,19H2,1-3H3.
What are the key properties of 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine?
1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine has a molecular weight of 297.41 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine is sourced from PubChem (CID 83923067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).