N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

C23H21ClFN5 — CID 44828091

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C23H21ClFN5/c1-16-9-6-7-14-21(16)30-23(26-27-28-30)22(17-10-4-3-5-11-17)29(2)15-18-19(24)12-8-13-20(18)25/h3-14,22H,15H2,1-2H3
InChIKeyUDTAWBJFRXJLOD-UHFFFAOYSA-N
MW421.91 g/mol
LogP4.98
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (PubChem CID 44828091) has the molecular formula C23H21ClFN5 and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
PubChem CID44828091
Molecular FormulaC23H21ClFN5
Molecular Weight421.91 g/mol
Exact Mass421.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C23H21ClFN5/c1-16-9-6-7-14-21(16)30-23(26-27-28-30)22(17-10-4-3-5-11-17)29(2)15-18-19(24)12-8-13-20(18)25/h3-14,22H,15H2,1-2H3
InChIKeyUDTAWBJFRXJLOD-UHFFFAOYSA-N
XLogP4.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine (CID 44828091) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is Cc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
The InChIKey is UDTAWBJFRXJLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5/c1-16-9-6-7-14-21(16)30-23(26-27-28-30)22(17-10-4-3-5-11-17)29(2)15-18-19(24)12-8-13-20(18)25/h3-14,22H,15H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine has a molecular weight of 421.91 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine is sourced from PubChem (CID 44828091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).