N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine

C16H17N5O — CID 2440731

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCOc1ccccc1CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H17N5O/c1-20(12-13-8-6-7-11-15(13)22-2)16-17-18-19-21(16)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3
InChIKeyOHIDHRQMRXMXEL-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.31
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine

N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine (PubChem CID 2440731) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
PubChem CID2440731
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCOc1ccccc1CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H17N5O/c1-20(12-13-8-6-7-11-15(13)22-2)16-17-18-19-21(16)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3
InChIKeyOHIDHRQMRXMXEL-UHFFFAOYSA-N
XLogP2.31
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 127944
(E)-N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 707935
4-[5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 662205
5-(4-Methoxyphenoxy)-1-phenyltetrazole
CID 839324
N,N-dimethyl-1-(4-phenoxyphenyl)-1H-1,2,3,4-tetraazol-5-amine
CID 1482504
1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
Benzenamine, 4-methyl-N-[2-[1-(4-methoxyphenyl)-5-tetrazolyl]ethenyl]-
CID 5377685
1-[(2-Methoxyphenyl)-[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-phenylpiperazine
CID 656175
5-(2-isopropyl-5-methylphenoxy)-1-phenyl-1H-tetrazole
CID 1252027
5-(2,5-Dimethylphenoxy)-1-phenyltetrazole
CID 2099429
4-[5-(4-methoxyphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 2921673
N-{5-[(4-methoxybenzyl)amino]-1-phenyl-1H-1,2,4-triazol-3-yl}acetamide
CID 6471255

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine (CID 2440731) is N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine is COc1ccccc1CN(C)c1nnnn1-c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The InChIKey is OHIDHRQMRXMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-20(12-13-8-6-7-11-15(13)22-2)16-17-18-19-21(16)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine has a molecular weight of 295.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 2440731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).