N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

C13H16F3N5 — CID 59614691

IUPACN-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(C(F)(F)F)cc1)n1nnc(C)n1
InChIInChI=1S/C13H16F3N5/c1-9-18-20-21(19-9)12(7-8-17-2)10-3-5-11(6-4-10)13(14,15)16/h3-6,12,17H,7-8H2,1-2H3
InChIKeyDXCGCEIMYNQDKP-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 59614691) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID59614691
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(C(F)(F)F)cc1)n1nnc(C)n1
InChIInChI=1S/C13H16F3N5/c1-9-18-20-21(19-9)12(7-8-17-2)10-3-5-11(6-4-10)13(14,15)16/h3-6,12,17H,7-8H2,1-2H3
InChIKeyDXCGCEIMYNQDKP-UHFFFAOYSA-N
XLogP2.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 59614691) is N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine is CNCCC(c1ccc(C(F)(F)F)cc1)n1nnc(C)n1.
What is the InChIKey of N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is DXCGCEIMYNQDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-9-18-20-21(19-9)12(7-8-17-2)10-3-5-11(6-4-10)13(14,15)16/h3-6,12,17H,7-8H2,1-2H3.
What are the key properties of N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 299.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 59614691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).