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

C15H20F3N5 — CID 124626248

IUPAC(1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCn1nnc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1
InChIInChI=1S/C15H20F3N5/c1-14(2,3)13(19-9-12-20-22-23(4)21-12)10-6-5-7-11(8-10)15(16,17)18/h5-8,13,19H,9H2,1-4H3/t13-/m0/s1
InChIKeyUUPNCNPKISWRCV-ZDUSSCGKSA-N
MW327.35 g/mol
LogP3.11
Rot. Bonds4

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

(1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 124626248) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID124626248
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name(1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCn1nnc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1
InChIInChI=1S/C15H20F3N5/c1-14(2,3)13(19-9-12-20-22-23(4)21-12)10-6-5-7-11(8-10)15(16,17)18/h5-8,13,19H,9H2,1-4H3/t13-/m0/s1
InChIKeyUUPNCNPKISWRCV-ZDUSSCGKSA-N
XLogP3.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine with MolForge

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Related Compounds

(1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 99840996
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107048370
1-[(2-methyltetrazol-5-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 120603215
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 79570845
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066373
6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile
CID 133419364
N-ethyl-2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850631
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43723810

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 124626248) is (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine is Cn1nnc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1.
What is the InChIKey of (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is UUPNCNPKISWRCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-14(2,3)13(19-9-12-20-22-23(4)21-12)10-6-5-7-11(8-10)15(16,17)18/h5-8,13,19H,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
(1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 327.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 124626248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).