N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline

C16H15F2N5 — CID 122191208

IUPACN-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESCc1ccc(N(Cc2nn[nH]n2)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2N5/c1-11-2-6-14(7-3-11)23(10-16-19-21-22-20-16)9-12-4-5-13(17)8-15(12)18/h2-8H,9-10H2,1H3,(H,19,20,21,22)
InChIKeyUKNAQYOAAQODOW-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.99
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline

N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline (PubChem CID 122191208) has the molecular formula C16H15F2N5 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline
PubChem CID122191208
Molecular FormulaC16H15F2N5
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESCc1ccc(N(Cc2nn[nH]n2)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2N5/c1-11-2-6-14(7-3-11)23(10-16-19-21-22-20-16)9-12-4-5-13(17)8-15(12)18/h2-8H,9-10H2,1H3,(H,19,20,21,22)
InChIKeyUKNAQYOAAQODOW-UHFFFAOYSA-N
XLogP2.99
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)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

2,6-Difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)benzenamine
CID 2804192
2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 146402531
1H-Tetrazole-5-ethanamine, N-(4-methylphenyl)-
CID 3041347
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-[(2H-tetrazol-5-yl)methyl]benzenamine
CID 15164318
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)-4-[(2H-tetrazol-5-yl)methyl]benzenamine
CID 15164319
N-[(2-chlorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
CID 101909203
N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
CID 855820
1-(2-Fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 43811840
1-(4-Fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 43811848
N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191162
N-octyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191163
N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191164

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline (CID 122191208) is N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline is Cc1ccc(N(Cc2nn[nH]n2)Cc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The InChIKey is UKNAQYOAAQODOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5/c1-11-2-6-14(7-3-11)23(10-16-19-21-22-20-16)9-12-4-5-13(17)8-15(12)18/h2-8H,9-10H2,1H3,(H,19,20,21,22).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline?
N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline has a molecular weight of 315.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-methyl-N-(2H-tetrazol-5-ylmethyl)aniline is sourced from PubChem (CID 122191208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).