2-(3-nonoxyphenyl)ethanamine

C17H29NO — CID 63421244

IUPAC2-(3-nonoxyphenyl)ethanamine
SMILESCCCCCCCCCOc1cccc(CCN)c1
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-14-19-17-11-9-10-16(15-17)12-13-18/h9-11,15H,2-8,12-14,18H2,1H3
InChIKeyROUKPRZJHBSGOY-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.32
Rot. Bonds11

About 2-(3-nonoxyphenyl)ethanamine

2-(3-nonoxyphenyl)ethanamine (PubChem CID 63421244) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-(3-nonoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-nonoxyphenyl)ethanamine
PubChem CID63421244
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-(3-nonoxyphenyl)ethanamine
SMILESCCCCCCCCCOc1cccc(CCN)c1
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-14-19-17-11-9-10-16(15-17)12-13-18/h9-11,15H,2-8,12-14,18H2,1H3
InChIKeyROUKPRZJHBSGOY-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nonoxyphenyl)ethanamine?
The IUPAC name of 2-(3-nonoxyphenyl)ethanamine (CID 63421244) is 2-(3-nonoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-nonoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-nonoxyphenyl)ethanamine is CCCCCCCCCOc1cccc(CCN)c1.
What is the InChIKey of 2-(3-nonoxyphenyl)ethanamine?
The InChIKey is ROUKPRZJHBSGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-14-19-17-11-9-10-16(15-17)12-13-18/h9-11,15H,2-8,12-14,18H2,1H3.
What are the key properties of 2-(3-nonoxyphenyl)ethanamine?
2-(3-nonoxyphenyl)ethanamine has a molecular weight of 263.42 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nonoxyphenyl)ethanamine is sourced from PubChem (CID 63421244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).