N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine

C25H25NO — CID 146319603

IUPACN,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine
SMILESC=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccc(C)cc1
InChIInChI=1S/C25H25NO/c1-5-26(6-2)20-12-14-22-24(16-20)27-23-15-18(4)9-13-21(23)25(22)19-10-7-17(3)8-11-19/h7-16H,4-6H2,1-3H3
InChIKeyGJUKCTBSEOXERW-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.60
Rot. Bonds4

About N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine

N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine (PubChem CID 146319603) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine
PubChem CID146319603
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC NameN,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine
SMILESC=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccc(C)cc1
InChIInChI=1S/C25H25NO/c1-5-26(6-2)20-12-14-22-24(16-20)27-23-15-18(4)9-13-21(23)25(22)19-10-7-17(3)8-11-19/h7-16H,4-6H2,1-3H3
InChIKeyGJUKCTBSEOXERW-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine
CID 146319584
N,N-diethyl-9-(2-fluoro-5-methylpyrimidin-4-yl)-6-methylidenexanthen-3-amine
CID 146319587
9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine
CID 21053809
2-[3-(diethylamino)-6-methylidenexanthen-9-yl]-5-sulfinobenzenesulfonic acid
CID 130357980
9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene
CID 59630545
N,N-diethyl-6-methylidenexanthen-3-amine
CID 90961731
2-[3-(diethylamino)-6-methylidenexanthen-9-yl]benzoic acid;ethyl 2-[3-(ethylamino)-2,7-dimethyl-6-methylidenexanthen-9-yl]benzoate;dichloride
CID 158643512
4-(3-methyl-6-methylidenexanthen-9-yl)benzene-1,3-disulfonic acid
CID 20750820
carbanide;N,N-diethyl-6-methylidene-9-phenylxanthen-3-amine;3-[[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]sulfonylamino]propyl 2,2-dimethylbutanoate;3-(ethylamino)propyl 2,2-dimethylbutanoate;methanesulfonate;[4-[(4-methylphenyl)diazenyl]phenyl] 2,2-dimethylbutanoate;tungsten(2+)
CID 162225791
2-[3-(diethylamino)-6-methylidenexanthen-9-yl]-5-[[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]benzenesulfonic acid
CID 118263539
3-(3-methylbutan-2-yl)-6-methylidene-9-(2-methylphenyl)xanthene
CID 123715715
5-chlorosulfonyl-2-[3-(diethylamino)-6-pentan-3-ylidenexanthen-9-yl]benzenesulfonic acid
CID 59561742

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine?
The IUPAC name of N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine (CID 146319603) is N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine.
What is the SMILES notation for N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine?
The canonical SMILES for N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine is C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine?
The InChIKey is GJUKCTBSEOXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-5-26(6-2)20-12-14-22-24(16-20)27-23-15-18(4)9-13-21(23)25(22)19-10-7-17(3)8-11-19/h7-16H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine?
N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine has a molecular weight of 355.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine is sourced from PubChem (CID 146319603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).