N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline

C17H19N5O — CID 75430415

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline
SMILESCOc1ccc(CNc2ccc(C)c(-n3nnnc3C)c2)cc1
InChIInChI=1S/C17H19N5O/c1-12-4-7-15(10-17(12)22-13(2)19-20-21-22)18-11-14-5-8-16(23-3)9-6-14/h4-10,18H,11H2,1-3H3
InChIKeyPIKCDJDNUNCHGP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.90
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline

N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 75430415) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline
PubChem CID75430415
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline
SMILESCOc1ccc(CNc2ccc(C)c(-n3nnnc3C)c2)cc1
InChIInChI=1S/C17H19N5O/c1-12-4-7-15(10-17(12)22-13(2)19-20-21-22)18-11-14-5-8-16(23-3)9-6-14/h4-10,18H,11H2,1-3H3
InChIKeyPIKCDJDNUNCHGP-UHFFFAOYSA-N
XLogP2.90
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline
CID 56514542
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline
CID 56574156
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 56574355
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxy-3-(5-methyltetrazol-1-yl)aniline
CID 71997939
2-[[4-methoxy-3-(5-methyltetrazol-1-yl)anilino]methyl]benzonitrile
CID 56800878
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43683929
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
CID 82539031

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline (CID 75430415) is N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline is COc1ccc(CNc2ccc(C)c(-n3nnnc3C)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is PIKCDJDNUNCHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-4-7-15(10-17(12)22-13(2)19-20-21-22)18-11-14-5-8-16(23-3)9-6-14/h4-10,18H,11H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline?
N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 309.37 g/mol, XLogP of 2.90, 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]-4-methyl-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 75430415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).