N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine

C12H17N5 — CID 62737831

IUPACN-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1Cc1cccc(C)c1
InChIInChI=1S/C12H17N5/c1-3-13-8-12-14-15-16-17(12)9-11-6-4-5-10(2)7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyIFOVFPFWHXFSDT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.14
Rot. Bonds5

About N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine

N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 62737831) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID62737831
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1Cc1cccc(C)c1
InChIInChI=1S/C12H17N5/c1-3-13-8-12-14-15-16-17(12)9-11-6-4-5-10(2)7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyIFOVFPFWHXFSDT-UHFFFAOYSA-N
XLogP1.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-bromophenyl)methyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62762781
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
CID 55109247
N-[[2-methyl-1-[(3-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 114196023
[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine
CID 62736531
2-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]acetic acid
CID 66040764
N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735968
N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736639
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 62448275
2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
CID 63274880
4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162652849
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine (CID 62737831) is N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1Cc1cccc(C)c1.
What is the InChIKey of N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is IFOVFPFWHXFSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-13-8-12-14-15-16-17(12)9-11-6-4-5-10(2)7-11/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine?
N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62737831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).