5-(2,3,4-triethoxyphenyl)heptan-2-amine

C19H33NO3 — CID 83934242

IUPAC5-(2,3,4-triethoxyphenyl)heptan-2-amine
SMILESCCOc1ccc(C(CC)CCC(C)N)c(OCC)c1OCC
InChIInChI=1S/C19H33NO3/c1-6-15(11-10-14(5)20)16-12-13-17(21-7-2)19(23-9-4)18(16)22-8-3/h12-15H,6-11,20H2,1-5H3
InChIKeyAKVIXTYVXVFGSM-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.50
Rot. Bonds11

About 5-(2,3,4-triethoxyphenyl)heptan-2-amine

5-(2,3,4-triethoxyphenyl)heptan-2-amine (PubChem CID 83934242) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 5-(2,3,4-triethoxyphenyl)heptan-2-amine.

Molecular Properties

Compound Name5-(2,3,4-triethoxyphenyl)heptan-2-amine
PubChem CID83934242
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name5-(2,3,4-triethoxyphenyl)heptan-2-amine
SMILESCCOc1ccc(C(CC)CCC(C)N)c(OCC)c1OCC
InChIInChI=1S/C19H33NO3/c1-6-15(11-10-14(5)20)16-12-13-17(21-7-2)19(23-9-4)18(16)22-8-3/h12-15H,6-11,20H2,1-5H3
InChIKeyAKVIXTYVXVFGSM-UHFFFAOYSA-N
XLogP4.50
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
CID 83938866
5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
CID 83944184
3-(2,3,4-triethoxyphenyl)hexanoic acid
CID 83958183
4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
CID 83939793
5-phenylheptan-2-amine
CID 83936540
2-(6-aminoheptan-3-yl)-4-methylphenol
CID 83922878
5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
CID 83939803
5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
CID 83939473
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
CID 83937769
5-(2-methoxy-6-methylphenyl)heptan-2-amine
CID 83923910

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-triethoxyphenyl)heptan-2-amine?
The IUPAC name of 5-(2,3,4-triethoxyphenyl)heptan-2-amine (CID 83934242) is 5-(2,3,4-triethoxyphenyl)heptan-2-amine.
What is the SMILES notation for 5-(2,3,4-triethoxyphenyl)heptan-2-amine?
The canonical SMILES for 5-(2,3,4-triethoxyphenyl)heptan-2-amine is CCOc1ccc(C(CC)CCC(C)N)c(OCC)c1OCC.
What is the InChIKey of 5-(2,3,4-triethoxyphenyl)heptan-2-amine?
The InChIKey is AKVIXTYVXVFGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-6-15(11-10-14(5)20)16-12-13-17(21-7-2)19(23-9-4)18(16)22-8-3/h12-15H,6-11,20H2,1-5H3.
What are the key properties of 5-(2,3,4-triethoxyphenyl)heptan-2-amine?
5-(2,3,4-triethoxyphenyl)heptan-2-amine has a molecular weight of 323.48 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-triethoxyphenyl)heptan-2-amine is sourced from PubChem (CID 83934242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).