9,9-dimethyl-N-phenylxanthen-3-amine

C21H19NO — CID 156524764

IUPAC9,9-dimethyl-N-phenylxanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(Nc3ccccc3)ccc21
InChIInChI=1S/C21H19NO/c1-21(2)17-10-6-7-11-19(17)23-20-14-16(12-13-18(20)21)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3
InChIKeyXHVFGUAVXATBDB-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.86
Rot. Bonds2

About 9,9-dimethyl-N-phenylxanthen-3-amine

9,9-dimethyl-N-phenylxanthen-3-amine (PubChem CID 156524764) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenylxanthen-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenylxanthen-3-amine
PubChem CID156524764
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name9,9-dimethyl-N-phenylxanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(Nc3ccccc3)ccc21
InChIInChI=1S/C21H19NO/c1-21(2)17-10-6-7-11-19(17)23-20-14-16(12-13-18(20)21)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3
InChIKeyXHVFGUAVXATBDB-UHFFFAOYSA-N
XLogP5.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenylxanthen-3-amine?
The IUPAC name of 9,9-dimethyl-N-phenylxanthen-3-amine (CID 156524764) is 9,9-dimethyl-N-phenylxanthen-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenylxanthen-3-amine?
The canonical SMILES for 9,9-dimethyl-N-phenylxanthen-3-amine is CC1(C)c2ccccc2Oc2cc(Nc3ccccc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-phenylxanthen-3-amine?
The InChIKey is XHVFGUAVXATBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-21(2)17-10-6-7-11-19(17)23-20-14-16(12-13-18(20)21)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenylxanthen-3-amine?
9,9-dimethyl-N-phenylxanthen-3-amine has a molecular weight of 301.39 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenylxanthen-3-amine is sourced from PubChem (CID 156524764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).