(1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine

C15H19F4N5 — CID 129434019

IUPAC(1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1nnn(CC(F)(F)F)n1
InChIInChI=1S/C15H19F4N5/c1-10(2)14(11-4-6-12(16)7-5-11)23(3)8-13-20-22-24(21-13)9-15(17,18)19/h4-7,10,14H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyWLULMYFMSZGJBW-AWEZNQCLSA-N
MW345.34 g/mol
LogP3.20
Rot. Bonds6

About (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine

(1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 129434019) has the molecular formula C15H19F4N5 and a molecular weight of 345.34 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID129434019
Molecular FormulaC15H19F4N5
Molecular Weight345.34 g/mol
Exact Mass345.16
IUPAC Name(1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1nnn(CC(F)(F)F)n1
InChIInChI=1S/C15H19F4N5/c1-10(2)14(11-4-6-12(16)7-5-11)23(3)8-13-20-22-24(21-13)9-15(17,18)19/h4-7,10,14H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyWLULMYFMSZGJBW-AWEZNQCLSA-N
XLogP3.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine (CID 129434019) is (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine is CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1nnn(CC(F)(F)F)n1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is WLULMYFMSZGJBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19F4N5/c1-10(2)14(11-4-6-12(16)7-5-11)23(3)8-13-20-22-24(21-13)9-15(17,18)19/h4-7,10,14H,8-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine?
(1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 345.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N,2-dimethyl-N-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 129434019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).