N,N,9-trimethylxanthen-9-amine

C16H17NO — CID 68833214

IUPACN,N,9-trimethylxanthen-9-amine
SMILESCN(C)C1(C)c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H17NO/c1-16(17(2)3)12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16/h4-11H,1-3H3
InChIKeyNWALQCZOGZBBEF-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.62
Rot. Bonds1

About N,N,9-trimethylxanthen-9-amine

N,N,9-trimethylxanthen-9-amine (PubChem CID 68833214) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N,9-trimethylxanthen-9-amine.

Molecular Properties

Compound NameN,N,9-trimethylxanthen-9-amine
PubChem CID68833214
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN,N,9-trimethylxanthen-9-amine
SMILESCN(C)C1(C)c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H17NO/c1-16(17(2)3)12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16/h4-11H,1-3H3
InChIKeyNWALQCZOGZBBEF-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,9-trimethylxanthen-9-amine?
The IUPAC name of N,N,9-trimethylxanthen-9-amine (CID 68833214) is N,N,9-trimethylxanthen-9-amine.
What is the SMILES notation for N,N,9-trimethylxanthen-9-amine?
The canonical SMILES for N,N,9-trimethylxanthen-9-amine is CN(C)C1(C)c2ccccc2Oc2ccccc21.
What is the InChIKey of N,N,9-trimethylxanthen-9-amine?
The InChIKey is NWALQCZOGZBBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(17(2)3)12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16/h4-11H,1-3H3.
What are the key properties of N,N,9-trimethylxanthen-9-amine?
N,N,9-trimethylxanthen-9-amine has a molecular weight of 239.32 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,9-trimethylxanthen-9-amine is sourced from PubChem (CID 68833214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).