N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

C26H29N5O3 — CID 2867844

IUPACN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CN(C)C(c1ccccc1)c1nnnn1-c1ccccc1C
InChIInChI=1S/C26H29N5O3/c1-18-11-9-10-14-21(18)31-26(27-28-29-31)25(19-12-7-6-8-13-19)30(2)17-20-15-23(33-4)24(34-5)16-22(20)32-3/h6-16,25H,17H2,1-5H3
InChIKeyMKGLHEFJSNUHSC-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.22
Rot. Bonds9

About N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 2867844) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID2867844
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CN(C)C(c1ccccc1)c1nnnn1-c1ccccc1C
InChIInChI=1S/C26H29N5O3/c1-18-11-9-10-14-21(18)31-26(27-28-29-31)25(19-12-7-6-8-13-19)30(2)17-20-15-23(33-4)24(34-5)16-22(20)32-3/h6-16,25H,17H2,1-5H3
InChIKeyMKGLHEFJSNUHSC-UHFFFAOYSA-N
XLogP4.22
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (CID 2867844) is N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(OC)cc1CN(C)C(c1ccccc1)c1nnnn1-c1ccccc1C.
What is the InChIKey of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is MKGLHEFJSNUHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-18-11-9-10-14-21(18)31-26(27-28-29-31)25(19-12-7-6-8-13-19)30(2)17-20-15-23(33-4)24(34-5)16-22(20)32-3/h6-16,25H,17H2,1-5H3.
What are the key properties of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 459.55 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 2867844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).