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

C15H20F3N5 — CID 99840996

IUPAC(1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCC(C)C[C@@H](NCc1nnn(C)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N5/c1-10(2)7-13(19-9-14-20-22-23(3)21-14)11-5-4-6-12(8-11)15(16,17)18/h4-6,8,10,13,19H,7,9H2,1-3H3/t13-/m1/s1
InChIKeyNJTKXLYZYBYGNF-CYBMUJFWSA-N
MW327.35 g/mol
LogP3.11
Rot. Bonds6

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

(1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 99840996) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name(1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID99840996
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name(1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCC(C)C[C@@H](NCc1nnn(C)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N5/c1-10(2)7-13(19-9-14-20-22-23(3)21-14)11-5-4-6-12(8-11)15(16,17)18/h4-6,8,10,13,19H,7,9H2,1-3H3/t13-/m1/s1
InChIKeyNJTKXLYZYBYGNF-CYBMUJFWSA-N
XLogP3.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

(1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 124626248
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107048370
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
1-[(2-methyltetrazol-5-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 120603215
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
CID 119769325
(1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 100701643
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066373
N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 64718532

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 99840996) is (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine is CC(C)C[C@@H](NCc1nnn(C)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is NJTKXLYZYBYGNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-10(2)7-13(19-9-14-20-22-23(3)21-14)11-5-4-6-12(8-11)15(16,17)18/h4-6,8,10,13,19H,7,9H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
(1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 327.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 99840996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).