N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine

C24H25NO — CID 69465478

IUPACN,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine
SMILESCCN(CC)c1cccc2c1C(c1ccccc1C)c1ccccc1O2
InChIInChI=1S/C24H25NO/c1-4-25(5-2)20-14-10-16-22-24(20)23(18-12-7-6-11-17(18)3)19-13-8-9-15-21(19)26-22/h6-16,23H,4-5H2,1-3H3
InChIKeyOBSRKSDCGZDQFC-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.13
Rot. Bonds4

About N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine

N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine (PubChem CID 69465478) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine.

Molecular Properties

Compound NameN,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine
PubChem CID69465478
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC NameN,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine
SMILESCCN(CC)c1cccc2c1C(c1ccccc1C)c1ccccc1O2
InChIInChI=1S/C24H25NO/c1-4-25(5-2)20-14-10-16-22-24(20)23(18-12-7-6-11-17(18)3)19-13-8-9-15-21(19)26-22/h6-16,23H,4-5H2,1-3H3
InChIKeyOBSRKSDCGZDQFC-UHFFFAOYSA-N
XLogP6.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine?
The IUPAC name of N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine (CID 69465478) is N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine.
What is the SMILES notation for N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine?
The canonical SMILES for N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine is CCN(CC)c1cccc2c1C(c1ccccc1C)c1ccccc1O2.
What is the InChIKey of N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine?
The InChIKey is OBSRKSDCGZDQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-4-25(5-2)20-14-10-16-22-24(20)23(18-12-7-6-11-17(18)3)19-13-8-9-15-21(19)26-22/h6-16,23H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine?
N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine has a molecular weight of 343.47 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-(2-methylphenyl)-9H-xanthen-1-amine is sourced from PubChem (CID 69465478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).