[2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol

C33H36N2O2 — CID 151940717

IUPAC[2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(C)c(-c3ccc(C)cc3C)c(N)c1C2c1ccccc1CO
InChIInChI=1S/C33H36N2O2/c1-6-35(7-2)24-13-15-27-28(18-24)37-29-17-22(5)30(25-14-12-20(3)16-21(25)4)33(34)32(29)31(27)26-11-9-8-10-23(26)19-36/h8-18,31,36H,6-7,19,34H2,1-5H3
InChIKeyTUPPACFFWRLRKN-UHFFFAOYSA-N
MW492.66 g/mol
LogP7.49
Rot. Bonds6

About [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol

[2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol (PubChem CID 151940717) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol
PubChem CID151940717
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC Name[2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(C)c(-c3ccc(C)cc3C)c(N)c1C2c1ccccc1CO
InChIInChI=1S/C33H36N2O2/c1-6-35(7-2)24-13-15-27-28(18-24)37-29-17-22(5)30(25-14-12-20(3)16-21(25)4)33(34)32(29)31(27)26-11-9-8-10-23(26)19-36/h8-18,31,36H,6-7,19,34H2,1-5H3
InChIKeyTUPPACFFWRLRKN-UHFFFAOYSA-N
XLogP7.49
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]phenyl]methanol
CID 139615996
6-(diethylamino)-3-hydroxy-9-[2-(hydroxymethyl)phenyl]-9H-xanthene-4-carbaldehyde
CID 126682394
[3,6-bis(diethylamino)-9H-xanthen-9-yl]-(2-methylphenyl)methanone
CID 70402921
2-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]-5-(diethylamino)phenol
CID 59211315
[2-[3-(diethylamino)-4-methoxy-9H-xanthen-9-yl]phenyl]methanol
CID 139616008
1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
9-N-(2-chlorophenyl)-3-N,3-N,6-N,6-N-tetraethyl-9H-xanthene-3,6,9-triamine
CID 57199338
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
ethyl 2-[2-chloro-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoate
CID 18506617
trityl 2-[6-(diethylamino)-2-(2,6-dimethylanilino)-3-methyl-9H-xanthen-9-yl]benzoate
CID 139607722
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline
CID 90719278

Frequently Asked Questions

What is the IUPAC name of [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol?
The IUPAC name of [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol (CID 151940717) is [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol.
What is the SMILES notation for [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol?
The canonical SMILES for [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol is CCN(CC)c1ccc2c(c1)Oc1cc(C)c(-c3ccc(C)cc3C)c(N)c1C2c1ccccc1CO.
What is the InChIKey of [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol?
The InChIKey is TUPPACFFWRLRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O2/c1-6-35(7-2)24-13-15-27-28(18-24)37-29-17-22(5)30(25-14-12-20(3)16-21(25)4)33(34)32(29)31(27)26-11-9-8-10-23(26)19-36/h8-18,31,36H,6-7,19,34H2,1-5H3.
What are the key properties of [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol?
[2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol has a molecular weight of 492.66 g/mol, XLogP of 7.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-amino-6-(diethylamino)-2-(2,4-dimethylphenyl)-3-methyl-9H-xanthen-9-yl]phenyl]methanol is sourced from PubChem (CID 151940717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).