N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline

C19H23N5O — CID 596368

IUPACN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1
InChIInChI=1S/C19H23N5O/c1-13-8-6-9-14(2)17(13)24-18(21-22-23-24)19(3,4)20-15-10-7-11-16(12-15)25-5/h6-12,20H,1-5H3
InChIKeyQRHWBNDQGIHIGO-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.63
Rot. Bonds5

About N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline

N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline (PubChem CID 596368) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline
PubChem CID596368
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1
InChIInChI=1S/C19H23N5O/c1-13-8-6-9-14(2)17(13)24-18(21-22-23-24)19(3,4)20-15-10-7-11-16(12-15)25-5/h6-12,20H,1-5H3
InChIKeyQRHWBNDQGIHIGO-UHFFFAOYSA-N
XLogP3.63
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-tetrazole
CID 665835
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline
CID 3715269
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11540510
(5-(3-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 46226492
N-{2-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]propan-2-yl}-2,4-dimethylaniline
CID 45600576
(3-Methoxy-phenyl)-[1-(1-p-tolyl-1H-tetrazol-5-yl)-cyclopentyl]-amine
CID 605449
3-methoxy-N-{1-[1-(2-methylphenyl)-1H-tetrazol-5-yl]cyclopentyl}aniline
CID 3417186
4-iodo-N-{1-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}aniline
CID 4011336
Benzenamine, 2-methyl-N-[2-[1-(2-methoxyphenyl)-5-tetrazolyl]ethenyl]-
CID 5373556
N-mesityl-2-{[1-(3-methoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}acetamide
CID 1315738
Cambridge id 5138785
CID 2829516
1-Benzyl-4-(1-(4-methoxyphenyl)-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine
CID 379866

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline?
The IUPAC name of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline (CID 596368) is N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline.
What is the SMILES notation for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline?
The canonical SMILES for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline is COc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1.
What is the InChIKey of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline?
The InChIKey is QRHWBNDQGIHIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-8-6-9-14(2)17(13)24-18(21-22-23-24)19(3,4)20-15-10-7-11-16(12-15)25-5/h6-12,20H,1-5H3.
What are the key properties of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline?
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline has a molecular weight of 337.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline is sourced from PubChem (CID 596368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).