9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine

C22H20N2O — CID 21053809

IUPAC9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine
SMILESC=c1ccc2c(c1)Oc1cc(N(C)C)ccc1C=2c1ccc(N)cc1
InChIInChI=1S/C22H20N2O/c1-14-4-10-18-20(12-14)25-21-13-17(24(2)3)9-11-19(21)22(18)15-5-7-16(23)8-6-15/h4-13H,1,23H2,2-3H3
InChIKeyZIANGBVNPBZXJJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.10
Rot. Bonds2

About 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine

9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine (PubChem CID 21053809) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine.

Molecular Properties

Compound Name9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine
PubChem CID21053809
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine
SMILESC=c1ccc2c(c1)Oc1cc(N(C)C)ccc1C=2c1ccc(N)cc1
InChIInChI=1S/C22H20N2O/c1-14-4-10-18-20(12-14)25-21-13-17(24(2)3)9-11-19(21)22(18)15-5-7-16(23)8-6-15/h4-13H,1,23H2,2-3H3
InChIKeyZIANGBVNPBZXJJ-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(3-amino-6-methylidenexanthen-9-yl)-2,5,6-tris[4-(dimethylamino)phenyl]-4-methylphenyl]sulfanylphenyl]methanediol
CID 18723994
3-N,3-N,6-N,6-N-tetramethyl-9-(6-methylidenecyclohexa-2,4-dien-1-ylidene)xanthene-3,6-diamine
CID 59839469
N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine
CID 146319584
2-(3-amino-6-methylidenexanthen-9-yl)-4-propan-2-ylbenzoic acid
CID 130353490
9-[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methylphenyl]-3-methyl-6-methylidenexanthene
CID 59630545
2-[3-(dimethylamino)-6-methylidenexanthen-9-yl]benzoate;(2,5-dioxopyrrolidin-1-yl) acetate;methane
CID 158899104
N,N-diethyl-9-(2-fluoro-5-methylpyrimidin-4-yl)-6-methylidenexanthen-3-amine
CID 146319587
2-[3-(dimethylamino)-6-methylidenexanthen-9-yl]-5-[3-(2,5-dioxopyrrol-1-yl)propylcarbamoyl]benzoic acid
CID 121361236
4-(3-methyl-6-methylidenexanthen-9-yl)benzene-1,3-disulfonic acid
CID 20750820
2-[4-(dimethylamino)-2-hydroxyphenyl]-3-hydroxy-4-(2-hydroxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclobut-2-en-1-one
CID 54252198
(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one
CID 22121340
3,6-dichloro-2-[3-(dimethylamino)-6-methylidenexanthen-9-yl]-4-[[2-[[4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]methylamino]-2-oxoethyl]carbamoyl]benzoic acid
CID 88588819

Frequently Asked Questions

What is the IUPAC name of 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine?
The IUPAC name of 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine (CID 21053809) is 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine.
What is the SMILES notation for 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine?
The canonical SMILES for 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine is C=c1ccc2c(c1)Oc1cc(N(C)C)ccc1C=2c1ccc(N)cc1.
What is the InChIKey of 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine?
The InChIKey is ZIANGBVNPBZXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-14-4-10-18-20(12-14)25-21-13-17(24(2)3)9-11-19(21)22(18)15-5-7-16(23)8-6-15/h4-13H,1,23H2,2-3H3.
What are the key properties of 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine?
9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine has a molecular weight of 328.42 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-aminophenyl)-N,N-dimethyl-6-methylidenexanthen-3-amine is sourced from PubChem (CID 21053809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).