N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline

C23H23N5O — CID 7637503

IUPACN-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline
SMILESCOc1ccccc1N[C@@H](c1ccccc1)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C23H23N5O/c1-16-10-9-11-17(2)22(16)28-23(25-26-27-28)21(18-12-5-4-6-13-18)24-19-14-7-8-15-20(19)29-3/h4-15,21,24H,1-3H3/t21-/m0/s1
InChIKeyYHZCLPZIUHFHQC-NRFANRHFSA-N
MW385.47 g/mol
LogP4.49
Rot. Bonds6

About N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline

N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline (PubChem CID 7637503) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline
PubChem CID7637503
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline
SMILESCOc1ccccc1N[C@@H](c1ccccc1)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C23H23N5O/c1-16-10-9-11-17(2)22(16)28-23(25-26-27-28)21(18-12-5-4-6-13-18)24-19-14-7-8-15-20(19)29-3/h4-15,21,24H,1-3H3/t21-/m0/s1
InChIKeyYHZCLPZIUHFHQC-NRFANRHFSA-N
XLogP4.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16649469
N-[(2S)-2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]-2-methoxyaniline
CID 51697986
4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
CID 4610695
dibenzyl-[(1S)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methylpropyl]azanium
CID 7073477
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxyaniline
CID 22432970
[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium
CID 7073073
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide
CID 22304535
ethyl 4-[5-[(S)-methylamino(phenyl)methyl]tetrazol-1-yl]benzoate
CID 41068641
(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7767880
2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 50812616
N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline?
The IUPAC name of N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline (CID 7637503) is N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline.
What is the SMILES notation for N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline?
The canonical SMILES for N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline is COc1ccccc1N[C@@H](c1ccccc1)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline?
The InChIKey is YHZCLPZIUHFHQC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-10-9-11-17(2)22(16)28-23(25-26-27-28)21(18-12-5-4-6-13-18)24-19-14-7-8-15-20(19)29-3/h4-15,21,24H,1-3H3/t21-/m0/s1.
What are the key properties of N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline?
N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline has a molecular weight of 385.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-2-methoxyaniline is sourced from PubChem (CID 7637503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).