N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline

C14H13N5O — CID 135372809

IUPACN-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline
SMILESCOc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N5O/c1-20-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14-16-18-19-17-14/h2-9,15H,1H3,(H,16,17,18,19)
InChIKeyXDTWWRHTLAFFAC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.62
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline

N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline (PubChem CID 135372809) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline
PubChem CID135372809
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline
SMILESCOc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N5O/c1-20-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14-16-18-19-17-14/h2-9,15H,1H3,(H,16,17,18,19)
InChIKeyXDTWWRHTLAFFAC-UHFFFAOYSA-N
XLogP2.62
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 142468341
N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465468
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465363
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 155224026
2-N-benzyl-4-N-(2-fluoro-4-methoxyphenyl)-2-N-(2-methylpropyl)-6-[2-(2H-tetrazol-5-yl)phenyl]pyridine-2,4-diamine
CID 162468435
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 135372390
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
5-isocyano-2-methylsulfanyl-N-[2-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
CID 168846052
N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine
CID 53355224
1,8-bis(4-methoxyanilino)anthracene-9,10-dione
CID 22756934

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline (CID 135372809) is N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline is COc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline?
The InChIKey is XDTWWRHTLAFFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14-16-18-19-17-14/h2-9,15H,1H3,(H,16,17,18,19).
What are the key properties of N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline?
N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline has a molecular weight of 267.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 135372809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).