N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine

C20H21N — CID 163438420

IUPACN-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine
SMILESCc1cc(C)c(N(C)c2cccc3ccccc23)cc1C
InChIInChI=1S/C20H21N/c1-14-12-16(3)20(13-15(14)2)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3
InChIKeyDMXCGOUGGKDEDN-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.53
Rot. Bonds2

About N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine

N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine (PubChem CID 163438420) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine
PubChem CID163438420
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC NameN-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine
SMILESCc1cc(C)c(N(C)c2cccc3ccccc23)cc1C
InChIInChI=1S/C20H21N/c1-14-12-16(3)20(13-15(14)2)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3
InChIKeyDMXCGOUGGKDEDN-UHFFFAOYSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-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-(2,4,5-trimethylphenyl)naphthalen-1-amine?
The IUPAC name of N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine (CID 163438420) is N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine?
The canonical SMILES for N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine is Cc1cc(C)c(N(C)c2cccc3ccccc23)cc1C.
What is the InChIKey of N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine?
The InChIKey is DMXCGOUGGKDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14-12-16(3)20(13-15(14)2)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3.
What are the key properties of N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine?
N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine has a molecular weight of 275.39 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine is sourced from PubChem (CID 163438420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).