N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine

C13H19N5 — CID 107048584

IUPACN-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1ccccc1C
InChIInChI=1S/C13H19N5/c1-4-14-12(9-13-15-17-18(3)16-13)11-8-6-5-7-10(11)2/h5-8,12,14H,4,9H2,1-3H3
InChIKeyVQYUIYKJFLVNAL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds5

About N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine

N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107048584) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107048584
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1ccccc1C
InChIInChI=1S/C13H19N5/c1-4-14-12(9-13-15-17-18(3)16-13)11-8-6-5-7-10(11)2/h5-8,12,14H,4,9H2,1-3H3
InChIKeyVQYUIYKJFLVNAL-UHFFFAOYSA-N
XLogP1.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050491
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049322
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065274
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065389
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 107064997
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996077
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
1-(3-bromo-2-pyridinyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050879

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107048584) is N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1ccccc1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is VQYUIYKJFLVNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-14-12(9-13-15-17-18(3)16-13)11-8-6-5-7-10(11)2/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107048584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).