[9-(3-ethoxypropyl)xanthen-9-yl]methanamine

C19H23NO2 — CID 59778276

IUPAC[9-(3-ethoxypropyl)xanthen-9-yl]methanamine
SMILESCCOCCCC1(CN)c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H23NO2/c1-2-21-13-7-12-19(14-20)15-8-3-5-10-17(15)22-18-11-6-4-9-16(18)19/h3-6,8-11H,2,7,12-14,20H2,1H3
InChIKeyXBIVHHMNYYFDAV-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.85
Rot. Bonds6

About [9-(3-ethoxypropyl)xanthen-9-yl]methanamine

[9-(3-ethoxypropyl)xanthen-9-yl]methanamine (PubChem CID 59778276) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [9-(3-ethoxypropyl)xanthen-9-yl]methanamine.

Molecular Properties

Compound Name[9-(3-ethoxypropyl)xanthen-9-yl]methanamine
PubChem CID59778276
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[9-(3-ethoxypropyl)xanthen-9-yl]methanamine
SMILESCCOCCCC1(CN)c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H23NO2/c1-2-21-13-7-12-19(14-20)15-8-3-5-10-17(15)22-18-11-6-4-9-16(18)19/h3-6,8-11H,2,7,12-14,20H2,1H3
InChIKeyXBIVHHMNYYFDAV-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of [9-(3-ethoxypropyl)xanthen-9-yl]methanamine?
The IUPAC name of [9-(3-ethoxypropyl)xanthen-9-yl]methanamine (CID 59778276) is [9-(3-ethoxypropyl)xanthen-9-yl]methanamine.
What is the SMILES notation for [9-(3-ethoxypropyl)xanthen-9-yl]methanamine?
The canonical SMILES for [9-(3-ethoxypropyl)xanthen-9-yl]methanamine is CCOCCCC1(CN)c2ccccc2Oc2ccccc21.
What is the InChIKey of [9-(3-ethoxypropyl)xanthen-9-yl]methanamine?
The InChIKey is XBIVHHMNYYFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-21-13-7-12-19(14-20)15-8-3-5-10-17(15)22-18-11-6-4-9-16(18)19/h3-6,8-11H,2,7,12-14,20H2,1H3.
What are the key properties of [9-(3-ethoxypropyl)xanthen-9-yl]methanamine?
[9-(3-ethoxypropyl)xanthen-9-yl]methanamine has a molecular weight of 297.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-ethoxypropyl)xanthen-9-yl]methanamine is sourced from PubChem (CID 59778276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).