N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine

C18H15N5 — CID 66965266

IUPACN-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine
SMILESCN(c1cccc(-c2nn[nH]n2)c1)c1cccc2ccccc12
InChIInChI=1S/C18H15N5/c1-23(17-11-5-7-13-6-2-3-10-16(13)17)15-9-4-8-14(12-15)18-19-21-22-20-18/h2-12H,1H3,(H,19,20,21,22)
InChIKeyHUZZTXSEPRITLO-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.79
Rot. Bonds3

About N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine

N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine (PubChem CID 66965266) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine
PubChem CID66965266
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine
SMILESCN(c1cccc(-c2nn[nH]n2)c1)c1cccc2ccccc12
InChIInChI=1S/C18H15N5/c1-23(17-11-5-7-13-6-2-3-10-16(13)17)15-9-4-8-14(12-15)18-19-21-22-20-18/h2-12H,1H3,(H,19,20,21,22)
InChIKeyHUZZTXSEPRITLO-UHFFFAOYSA-N
XLogP3.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine (CID 66965266) is N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine is CN(c1cccc(-c2nn[nH]n2)c1)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine?
The InChIKey is HUZZTXSEPRITLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-23(17-11-5-7-13-6-2-3-10-16(13)17)15-9-4-8-14(12-15)18-19-21-22-20-18/h2-12H,1H3,(H,19,20,21,22).
What are the key properties of N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine?
N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine has a molecular weight of 301.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 66965266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).