2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine

C12H17N5 — CID 84794678

IUPAC2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine
SMILESCn1nnnc1-c1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C12H17N5/c1-12(2,13)8-9-4-6-10(7-5-9)11-14-15-16-17(11)3/h4-7H,8,13H2,1-3H3
InChIKeyNSVWLEUBSKNEFH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine

2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine (PubChem CID 84794678) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine
PubChem CID84794678
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine
SMILESCn1nnnc1-c1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C12H17N5/c1-12(2,13)8-9-4-6-10(7-5-9)11-14-15-16-17(11)3/h4-7H,8,13H2,1-3H3
InChIKeyNSVWLEUBSKNEFH-UHFFFAOYSA-N
XLogP1.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine (CID 84794678) is 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine is Cn1nnnc1-c1ccc(CC(C)(C)N)cc1.
What is the InChIKey of 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine?
The InChIKey is NSVWLEUBSKNEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-12(2,13)8-9-4-6-10(7-5-9)11-14-15-16-17(11)3/h4-7H,8,13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine?
2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine is sourced from PubChem (CID 84794678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).