N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline

C17H19N5O2 — CID 78882897

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCOc1cccc(CNc2cccc(-n3nnnc3C)c2)c1OC
InChIInChI=1S/C17H19N5O2/c1-12-19-20-21-22(12)15-8-5-7-14(10-15)18-11-13-6-4-9-16(23-2)17(13)24-3/h4-10,18H,11H2,1-3H3
InChIKeyBAHPFODYIHZDEH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.60
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline

N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 78882897) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
PubChem CID78882897
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCOc1cccc(CNc2cccc(-n3nnnc3C)c2)c1OC
InChIInChI=1S/C17H19N5O2/c1-12-19-20-21-22(12)15-8-5-7-14(10-15)18-11-13-6-4-9-16(23-2)17(13)24-3/h4-10,18H,11H2,1-3H3
InChIKeyBAHPFODYIHZDEH-UHFFFAOYSA-N
XLogP2.60
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 55680184
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115744001
N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
CID 628339
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline (CID 78882897) is N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline is COc1cccc(CNc2cccc(-n3nnnc3C)c2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is BAHPFODYIHZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-19-20-21-22(12)15-8-5-7-14(10-15)18-11-13-6-4-9-16(23-2)17(13)24-3/h4-10,18H,11H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 325.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 78882897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).