1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

C17H20N6O2 — CID 4725530

IUPAC1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1cc(CNn2nnnc2N)ccc1OCc1ccccc1C
InChIInChI=1S/C17H20N6O2/c1-12-5-3-4-6-14(12)11-25-15-8-7-13(9-16(15)24-2)10-19-23-17(18)20-21-22-23/h3-9,19H,10-11H2,1-2H3,(H2,18,20,22)
InChIKeyNZRSVLIOZDUHTI-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.90
Rot. Bonds7

About 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4725530) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4725530
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1cc(CNn2nnnc2N)ccc1OCc1ccccc1C
InChIInChI=1S/C17H20N6O2/c1-12-5-3-4-6-14(12)11-25-15-8-7-13(9-16(15)24-2)10-19-23-17(18)20-21-22-23/h3-9,19H,10-11H2,1-2H3,(H2,18,20,22)
InChIKeyNZRSVLIOZDUHTI-UHFFFAOYSA-N
XLogP1.90
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-N-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727007
1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539612
1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine
CID 4727415
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724176
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
CID 39860699
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
1-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539682
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997399
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17294388
1-(1,3-benzodioxol-5-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719538
2-[2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294316

Frequently Asked Questions

What is the IUPAC name of 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (CID 4725530) is 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is COc1cc(CNn2nnnc2N)ccc1OCc1ccccc1C.
What is the InChIKey of 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is NZRSVLIOZDUHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-5-3-4-6-14(12)11-25-15-8-7-13(9-16(15)24-2)10-19-23-17(18)20-21-22-23/h3-9,19H,10-11H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 340.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4725530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).