naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine

C20H21N — CID 64990309

IUPACnaphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cccc3ccccc23)cc1C
InChIInChI=1S/C20H21N/c1-13-11-15(3)19(12-14(13)2)20(21)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,20H,21H2,1-3H3
InChIKeyVAOLVJIUTHQPOX-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.81
Rot. Bonds2

About naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine

naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64990309) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Namenaphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
PubChem CID64990309
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Namenaphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cccc3ccccc23)cc1C
InChIInChI=1S/C20H21N/c1-13-11-15(3)19(12-14(13)2)20(21)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,20H,21H2,1-3H3
InChIKeyVAOLVJIUTHQPOX-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine (CID 64990309) is naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cccc3ccccc23)cc1C.
What is the InChIKey of naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is VAOLVJIUTHQPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-13-11-15(3)19(12-14(13)2)20(21)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,20H,21H2,1-3H3.
What are the key properties of naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine?
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64990309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).