N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine

C13H19N5O — CID 107041124

IUPACN-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1nnn(C)n1
InChIInChI=1S/C13H19N5O/c1-3-8-14-9-11-6-4-5-7-12(11)19-10-13-15-17-18(2)16-13/h4-7,14H,3,8-10H2,1-2H3
InChIKeyRZKFXMXGBLQDEP-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.29
Rot. Bonds7

About N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 107041124) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID107041124
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1nnn(C)n1
InChIInChI=1S/C13H19N5O/c1-3-8-14-9-11-6-4-5-7-12(11)19-10-13-15-17-18(2)16-13/h4-7,14H,3,8-10H2,1-2H3
InChIKeyRZKFXMXGBLQDEP-UHFFFAOYSA-N
XLogP1.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107696935
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881221
N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041605
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
N-[(2-trimethylsilyloxyphenyl)methyl]propan-1-amine
CID 167723210
N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 62736402
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107041645
N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
CID 102939424

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine (CID 107041124) is N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCc1nnn(C)n1.
What is the InChIKey of N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is RZKFXMXGBLQDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-8-14-9-11-6-4-5-7-12(11)19-10-13-15-17-18(2)16-13/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107041124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).