N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline

C18H18F3N5 — CID 50812558

IUPACN-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline
SMILESCc1ccccc1-n1nnnc1C(C)(C)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N5/c1-12-7-4-5-10-15(12)26-16(23-24-25-26)17(2,3)22-14-9-6-8-13(11-14)18(19,20)21/h4-11,22H,1-3H3
InChIKeyXOVNSBVCNYZIMF-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.34
Rot. Bonds4

About N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline

N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline (PubChem CID 50812558) has the molecular formula C18H18F3N5 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline
PubChem CID50812558
Molecular FormulaC18H18F3N5
Molecular Weight361.37 g/mol
Exact Mass361.15
IUPAC NameN-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline
SMILESCc1ccccc1-n1nnnc1C(C)(C)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N5/c1-12-7-4-5-10-15(12)26-16(23-24-25-26)17(2,3)22-14-9-6-8-13(11-14)18(19,20)21/h4-11,22H,1-3H3
InChIKeyXOVNSBVCNYZIMF-UHFFFAOYSA-N
XLogP4.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline
CID 3907052
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine
CID 53009733
N-[(2S)-2-[1-(4-methylphenyl)tetrazol-5-yl]butan-2-yl]-3-(trifluoromethyl)aniline
CID 94086714
5-[dichloro-[1-(2-methylphenyl)tetrazol-5-yl]methyl]-1-(2-methylphenyl)tetrazole
CID 3093546
3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione
CID 4735951
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-(trifluoromethyl)aniline
CID 50812642
3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1186087
2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide
CID 171981923
N-[(2S)-2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 7082499
2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 50812616
4-methoxy-N-[(2S)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]butan-2-yl]aniline
CID 94086700
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8805926

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline (CID 50812558) is N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline is Cc1ccccc1-n1nnnc1C(C)(C)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline?
The InChIKey is XOVNSBVCNYZIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5/c1-12-7-4-5-10-15(12)26-16(23-24-25-26)17(2,3)22-14-9-6-8-13(11-14)18(19,20)21/h4-11,22H,1-3H3.
What are the key properties of N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline?
N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline has a molecular weight of 361.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-yl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 50812558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).