N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine

C14H21N5O — CID 62763334

IUPACN-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1ccccc1-n1nnnc1CNCC(C)C
InChIInChI=1S/C14H21N5O/c1-11(2)8-15-9-14-16-17-18-19(14)13-7-5-4-6-12(13)10-20-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyIZIPFMRHQKJKGH-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.55
Rot. Bonds7

About N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62763334) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62763334
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1ccccc1-n1nnnc1CNCC(C)C
InChIInChI=1S/C14H21N5O/c1-11(2)8-15-9-14-16-17-18-19(14)13-7-5-4-6-12(13)10-20-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyIZIPFMRHQKJKGH-UHFFFAOYSA-N
XLogP1.55
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66207117
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763143
N-[[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109541
5-(1-chloroethyl)-1-[2-(methoxymethyl)phenyl]tetrazole
CID 103084345
N-[[1-(3-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109096
N-[[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62738119
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107639471
N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737927
N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737942
N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
CID 55108923
5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole
CID 167209854
N-[[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737032

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62763334) is N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine is COCc1ccccc1-n1nnnc1CNCC(C)C.
What is the InChIKey of N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IZIPFMRHQKJKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)8-15-9-14-16-17-18-19(14)13-7-5-4-6-12(13)10-20-3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62763334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).