N-methyl-N-(3-methylphenyl)fluoranthen-3-amine

C24H19N — CID 70891339

IUPACN-methyl-N-(3-methylphenyl)fluoranthen-3-amine
SMILESCc1cccc(N(C)c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C24H19N/c1-16-7-5-8-17(15-16)25(2)23-14-13-21-19-10-4-3-9-18(19)20-11-6-12-22(23)24(20)21/h3-15H,1-2H3
InChIKeyXZDVUQRASRYJGI-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.56
Rot. Bonds2

About N-methyl-N-(3-methylphenyl)fluoranthen-3-amine

N-methyl-N-(3-methylphenyl)fluoranthen-3-amine (PubChem CID 70891339) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)fluoranthen-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)fluoranthen-3-amine
PubChem CID70891339
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC NameN-methyl-N-(3-methylphenyl)fluoranthen-3-amine
SMILESCc1cccc(N(C)c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C24H19N/c1-16-7-5-8-17(15-16)25(2)23-14-13-21-19-10-4-3-9-18(19)20-11-6-12-22(23)24(20)21/h3-15H,1-2H3
InChIKeyXZDVUQRASRYJGI-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-methyl-N-(3-methylphenyl)fluoranthen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)fluoranthen-3-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)fluoranthen-3-amine (CID 70891339) is N-methyl-N-(3-methylphenyl)fluoranthen-3-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)fluoranthen-3-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)fluoranthen-3-amine is Cc1cccc(N(C)c2ccc3c4c(cccc24)-c2ccccc2-3)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)fluoranthen-3-amine?
The InChIKey is XZDVUQRASRYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-16-7-5-8-17(15-16)25(2)23-14-13-21-19-10-4-3-9-18(19)20-11-6-12-22(23)24(20)21/h3-15H,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)fluoranthen-3-amine?
N-methyl-N-(3-methylphenyl)fluoranthen-3-amine has a molecular weight of 321.42 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)fluoranthen-3-amine is sourced from PubChem (CID 70891339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).