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

C22H22N2 — CID 70359726

IUPAC4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
SMILESCc1ccc2c(c1)-c1cc(Nc3ccc(N(C)C)cc3)ccc1C2
InChIInChI=1S/C22H22N2/c1-15-4-5-16-13-17-6-7-19(14-22(17)21(16)12-15)23-18-8-10-20(11-9-18)24(2)3/h4-12,14,23H,13H2,1-3H3
InChIKeyRIWHJKGNLVPTJU-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.38
Rot. Bonds3

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

4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine (PubChem CID 70359726) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
PubChem CID70359726
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
SMILESCc1ccc2c(c1)-c1cc(Nc3ccc(N(C)C)cc3)ccc1C2
InChIInChI=1S/C22H22N2/c1-15-4-5-16-13-17-6-7-19(14-22(17)21(16)12-15)23-18-8-10-20(11-9-18)24(2)3/h4-12,14,23H,13H2,1-3H3
InChIKeyRIWHJKGNLVPTJU-UHFFFAOYSA-N
XLogP5.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.38
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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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine (CID 70359726) is 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine is Cc1ccc2c(c1)-c1cc(Nc3ccc(N(C)C)cc3)ccc1C2.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The InChIKey is RIWHJKGNLVPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-15-4-5-16-13-17-6-7-19(14-22(17)21(16)12-15)23-18-8-10-20(11-9-18)24(2)3/h4-12,14,23H,13H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine has a molecular weight of 314.43 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 70359726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).