N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline

C26H30N2O — CID 68638117

IUPACN,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline
SMILESCCN(CC)c1ccc(C2c3ccccc3N(CC)c3ccccc32)c(OC)c1
InChIInChI=1S/C26H30N2O/c1-5-27(6-2)19-16-17-22(25(18-19)29-4)26-20-12-8-10-14-23(20)28(7-3)24-15-11-9-13-21(24)26/h8-18,26H,5-7H2,1-4H3
InChIKeyZFRNORBNAXPVFD-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.19
Rot. Bonds6

About N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline

N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline (PubChem CID 68638117) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline.

Molecular Properties

Compound NameN,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline
PubChem CID68638117
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC NameN,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline
SMILESCCN(CC)c1ccc(C2c3ccccc3N(CC)c3ccccc32)c(OC)c1
InChIInChI=1S/C26H30N2O/c1-5-27(6-2)19-16-17-22(25(18-19)29-4)26-20-12-8-10-14-23(20)28(7-3)24-15-11-9-13-21(24)26/h8-18,26H,5-7H2,1-4H3
InChIKeyZFRNORBNAXPVFD-UHFFFAOYSA-N
XLogP6.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126202963
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
10-(2,6-dimethoxyphenyl)-3-N,3-N,7-N,7-N-tetraethyl-5-oxo-5-phenyl-10H-acridophosphine-3,7-diamine;methyl hypochlorite
CID 142297871
1-[6-[4-(diethylamino)-2-methoxyphenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
CID 5494480
1-[(6S)-6-[4-(diethylamino)-2-methoxyphenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
CID 6402028
3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide
CID 173333229
N,N-diethyl-3-methoxy-4-[(2R,5R,6R)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]aniline
CID 125051389
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
CID 82052960
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
CID 170865901

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline?
The IUPAC name of N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline (CID 68638117) is N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline.
What is the SMILES notation for N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline?
The canonical SMILES for N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline is CCN(CC)c1ccc(C2c3ccccc3N(CC)c3ccccc32)c(OC)c1.
What is the InChIKey of N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline?
The InChIKey is ZFRNORBNAXPVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-5-27(6-2)19-16-17-22(25(18-19)29-4)26-20-12-8-10-14-23(20)28(7-3)24-15-11-9-13-21(24)26/h8-18,26H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline?
N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline has a molecular weight of 386.54 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline is sourced from PubChem (CID 68638117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).