2-(3-ethoxy-2-heptoxyphenyl)ethanamine

C17H29NO2 — CID 60905453

IUPAC2-(3-ethoxy-2-heptoxyphenyl)ethanamine
SMILESCCCCCCCOc1c(CCN)cccc1OCC
InChIInChI=1S/C17H29NO2/c1-3-5-6-7-8-14-20-17-15(12-13-18)10-9-11-16(17)19-4-2/h9-11H,3-8,12-14,18H2,1-2H3
InChIKeySCXRPSGLWKZUEV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

About 2-(3-ethoxy-2-heptoxyphenyl)ethanamine

2-(3-ethoxy-2-heptoxyphenyl)ethanamine (PubChem CID 60905453) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(3-ethoxy-2-heptoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxy-2-heptoxyphenyl)ethanamine
PubChem CID60905453
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(3-ethoxy-2-heptoxyphenyl)ethanamine
SMILESCCCCCCCOc1c(CCN)cccc1OCC
InChIInChI=1S/C17H29NO2/c1-3-5-6-7-8-14-20-17-15(12-13-18)10-9-11-16(17)19-4-2/h9-11H,3-8,12-14,18H2,1-2H3
InChIKeySCXRPSGLWKZUEV-UHFFFAOYSA-N
XLogP3.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095267
2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
1,2-diethoxy-3-pentoxybenzene
CID 174527240
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-heptoxyphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxy-2-heptoxyphenyl)ethanamine (CID 60905453) is 2-(3-ethoxy-2-heptoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxy-2-heptoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxy-2-heptoxyphenyl)ethanamine is CCCCCCCOc1c(CCN)cccc1OCC.
What is the InChIKey of 2-(3-ethoxy-2-heptoxyphenyl)ethanamine?
The InChIKey is SCXRPSGLWKZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-5-6-7-8-14-20-17-15(12-13-18)10-9-11-16(17)19-4-2/h9-11H,3-8,12-14,18H2,1-2H3.
What are the key properties of 2-(3-ethoxy-2-heptoxyphenyl)ethanamine?
2-(3-ethoxy-2-heptoxyphenyl)ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-heptoxyphenyl)ethanamine is sourced from PubChem (CID 60905453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).