N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine

C16H17N5 — CID 63199473

IUPACN-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N5/c1-17-15(13-8-4-2-5-9-13)12-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3
InChIKeyDKCDQULDCCACPP-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine

N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine (PubChem CID 63199473) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
PubChem CID63199473
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N5/c1-17-15(13-8-4-2-5-9-13)12-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3
InChIKeyDKCDQULDCCACPP-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62530302
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 62530476
5-[2-(chloromethyl)butyl]-1-phenyltetrazole
CID 66035227
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62529368
2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62531179
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202229
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine (CID 63199473) is N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine is CNC(Cc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine?
The InChIKey is DKCDQULDCCACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-17-15(13-8-4-2-5-9-13)12-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3.
What are the key properties of N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine?
N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 63199473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).