N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine

C20H25N5O2 — CID 39860697

IUPACN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2ccc(OCc3cccc(C)c3)c(OC)c2)n1
InChIInChI=1S/C20H25N5O2/c1-4-10-25-23-20(22-24-25)21-13-16-8-9-18(19(12-16)26-3)27-14-17-7-5-6-15(2)11-17/h5-9,11-12H,4,10,13-14H2,1-3H3,(H,21,23)
InChIKeyLOOPJLKRARWDOT-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.59
Rot. Bonds9

About N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine

N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine (PubChem CID 39860697) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
PubChem CID39860697
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2ccc(OCc3cccc(C)c3)c(OC)c2)n1
InChIInChI=1S/C20H25N5O2/c1-4-10-25-23-20(22-24-25)21-13-16-8-9-18(19(12-16)26-3)27-14-17-7-5-6-15(2)11-17/h5-9,11-12H,4,10,13-14H2,1-3H3,(H,21,23)
InChIKeyLOOPJLKRARWDOT-UHFFFAOYSA-N
XLogP3.59
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
CID 39860699
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722968
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine
CID 18778279
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 4722402
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine (CID 39860697) is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine is CCCn1nnc(NCc2ccc(OCc3cccc(C)c3)c(OC)c2)n1.
What is the InChIKey of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
The InChIKey is LOOPJLKRARWDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-10-25-23-20(22-24-25)21-13-16-8-9-18(19(12-16)26-3)27-14-17-7-5-6-15(2)11-17/h5-9,11-12H,4,10,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine?
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine has a molecular weight of 367.45 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine is sourced from PubChem (CID 39860697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).