[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine

C11H15N5 — CID 62736531

IUPAC[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine
SMILESCc1cccc(CCn2nnnc2CN)c1
InChIInChI=1S/C11H15N5/c1-9-3-2-4-10(7-9)5-6-16-11(8-12)13-14-15-16/h2-4,7H,5-6,8,12H2,1H3
InChIKeyCHGZAFCYWYCCCL-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.68
Rot. Bonds4

About [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine

[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine (PubChem CID 62736531) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine
PubChem CID62736531
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine
SMILESCc1cccc(CCn2nnnc2CN)c1
InChIInChI=1S/C11H15N5/c1-9-3-2-4-10(7-9)5-6-16-11(8-12)13-14-15-16/h2-4,7H,5-6,8,12H2,1H3
InChIKeyCHGZAFCYWYCCCL-UHFFFAOYSA-N
XLogP0.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]acetic acid
CID 66040764
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
[4-(2-methoxyethyl)-5-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 115943942
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085567
(1-propyltetrazol-5-yl)methanamine
CID 62736890
N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 62737831
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
3-(3-methylphenyl)propan-1-amine
CID 12666388
2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 107853847
N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62736869
3-chloro-5-methyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385719

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine?
The IUPAC name of [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine (CID 62736531) is [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine is Cc1cccc(CCn2nnnc2CN)c1.
What is the InChIKey of [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine?
The InChIKey is CHGZAFCYWYCCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-3-2-4-10(7-9)5-6-16-11(8-12)13-14-15-16/h2-4,7H,5-6,8,12H2,1H3.
What are the key properties of [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine?
[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 62736531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).