4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine

C24H26N2 — CID 70359800

IUPAC4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2ccc3c(c2)-c2cc(C)ccc2C3)cc1
InChIInChI=1S/C24H26N2/c1-4-26(5-2)22-12-10-20(11-13-22)25-21-9-8-19-15-18-7-6-17(3)14-23(18)24(19)16-21/h6-14,16,25H,4-5,15H2,1-3H3
InChIKeyYGOGJZGUFYWJBD-UHFFFAOYSA-N
MW342.49 g/mol
LogP6.16
Rot. Bonds5

About 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine (PubChem CID 70359800) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
PubChem CID70359800
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2ccc3c(c2)-c2cc(C)ccc2C3)cc1
InChIInChI=1S/C24H26N2/c1-4-26(5-2)22-12-10-20(11-13-22)25-21-9-8-19-15-18-7-6-17(3)14-23(18)24(19)16-21/h6-14,16,25H,4-5,15H2,1-3H3
InChIKeyYGOGJZGUFYWJBD-UHFFFAOYSA-N
XLogP6.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
CID 70359726
N,N-diethyl-6-methyl-9H-fluoren-2-amine
CID 67711573
N-ethyl-6-methyl-N-(4-methylphenyl)-9H-fluoren-3-amine
CID 151144852
1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine
CID 70388802
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
5-N-[4-(diethylamino)phenyl]-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963087
2-[[4-(diethylamino)anilino]methyl]-4-methylphenol
CID 63326694
N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide
CID 39122388
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine
CID 175461959
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine (CID 70359800) is 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine is CCN(CC)c1ccc(Nc2ccc3c(c2)-c2cc(C)ccc2C3)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The InChIKey is YGOGJZGUFYWJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-4-26(5-2)22-12-10-20(11-13-22)25-21-9-8-19-15-18-7-6-17(3)14-23(18)24(19)16-21/h6-14,16,25H,4-5,15H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 70359800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).