N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine

C16H17N5 — CID 62448473

IUPACN-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
SMILESCNCC(c1ccccc1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-17-12-15(13-8-4-2-5-9-13)21-19-16(18-20-21)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3
InChIKeyWJUXJGULSKHAQE-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.15
Rot. Bonds5

About N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine

N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine (PubChem CID 62448473) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
PubChem CID62448473
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
SMILESCNCC(c1ccccc1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-17-12-15(13-8-4-2-5-9-13)21-19-16(18-20-21)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3
InChIKeyWJUXJGULSKHAQE-UHFFFAOYSA-N
XLogP2.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
CID 79409199
3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 103227465
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
N-methyl-2-phenyl-2-(2-phenylimidazol-1-yl)ethanamine
CID 62566802
2-(5-phenyltetrazol-2-yl)pentanehydrazide
CID 83048205
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
1-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 63771728
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475591

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine (CID 62448473) is N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine is CNCC(c1ccccc1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine?
The InChIKey is WJUXJGULSKHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-17-12-15(13-8-4-2-5-9-13)21-19-16(18-20-21)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3.
What are the key properties of N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine?
N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine is sourced from PubChem (CID 62448473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).