N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

C12H14F3N5 — CID 44539762

IUPACN-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(C(F)(F)F)cc1)n1ncnn1
InChIInChI=1S/C12H14F3N5/c1-16-7-6-11(20-18-8-17-19-20)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeyRFEOUESOAKNSIZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.89
Rot. Bonds5

About N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 44539762) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID44539762
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(C(F)(F)F)cc1)n1ncnn1
InChIInChI=1S/C12H14F3N5/c1-16-7-6-11(20-18-8-17-19-20)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeyRFEOUESOAKNSIZ-UHFFFAOYSA-N
XLogP1.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 44539762) is N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine is CNCCC(c1ccc(C(F)(F)F)cc1)n1ncnn1.
What is the InChIKey of N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is RFEOUESOAKNSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-16-7-6-11(20-18-8-17-19-20)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3.
What are the key properties of N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 285.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 44539762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).