N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline

C15H15N5O — CID 43683929

IUPACN-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCOc1ccc(CNc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C15H15N5O/c1-21-15-7-5-12(6-8-15)10-16-13-3-2-4-14(9-13)20-11-17-18-19-20/h2-9,11,16H,10H2,1H3
InChIKeyLANUZAYJPYKILZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.28
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline

N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline (PubChem CID 43683929) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
PubChem CID43683929
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCOc1ccc(CNc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C15H15N5O/c1-21-15-7-5-12(6-8-15)10-16-13-3-2-4-14(9-13)20-11-17-18-19-20/h2-9,11,16H,10H2,1H3
InChIKeyLANUZAYJPYKILZ-UHFFFAOYSA-N
XLogP2.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43683952
N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475298
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
N-[(3-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691927
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
CID 146095566
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline (CID 43683929) is N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline is COc1ccc(CNc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is LANUZAYJPYKILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-15-7-5-12(6-8-15)10-16-13-3-2-4-14(9-13)20-11-17-18-19-20/h2-9,11,16H,10H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline?
N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 281.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43683929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).