(1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

C18H19F3N4 — CID 129359238

IUPAC(1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(C)n1ncnc1CN[C@H](c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C18H19F3N4/c1-12(2)25-16(23-11-24-25)10-22-17(18(19,20)21)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12,17,22H,10H2,1-2H3/t17-/m1/s1
InChIKeyPNIKDYPFVODFOR-QGZVFWFLSA-N
MW348.37 g/mol
LogP4.41
Rot. Bonds5

About (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

(1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 129359238) has the molecular formula C18H19F3N4 and a molecular weight of 348.37 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID129359238
Molecular FormulaC18H19F3N4
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC Name(1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(C)n1ncnc1CN[C@H](c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C18H19F3N4/c1-12(2)25-16(23-11-24-25)10-22-17(18(19,20)21)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12,17,22H,10H2,1-2H3/t17-/m1/s1
InChIKeyPNIKDYPFVODFOR-QGZVFWFLSA-N
XLogP4.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81387684
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81371019
2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 79748978
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904
1,1,1-trifluoro-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999794
N-ethyl-1-(2-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999681
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
2-(dimethylamino)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 126814447
1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999756
5-[3-bromo-2-(2-fluorophenyl)propyl]-1-propan-2-yl-1,2,4-triazole
CID 79454619
2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 79449251

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 129359238) is (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is CC(C)n1ncnc1CN[C@H](c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is PNIKDYPFVODFOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F3N4/c1-12(2)25-16(23-11-24-25)10-22-17(18(19,20)21)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12,17,22H,10H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
(1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 348.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 129359238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).