N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine

C23H25N5O — CID 18778279

IUPACN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2c(OCc3ccc(C)cc3)ccc3ccccc23)n1
InChIInChI=1S/C23H25N5O/c1-3-14-28-26-23(25-27-28)24-15-21-20-7-5-4-6-19(20)12-13-22(21)29-16-18-10-8-17(2)9-11-18/h4-13H,3,14-16H2,1-2H3,(H,24,26)
InChIKeyZWLDBEVDNQMWAP-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.74
Rot. Bonds8

About N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine (PubChem CID 18778279) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine
PubChem CID18778279
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2c(OCc3ccc(C)cc3)ccc3ccccc23)n1
InChIInChI=1S/C23H25N5O/c1-3-14-28-26-23(25-27-28)24-15-21-20-7-5-4-6-19(20)12-13-22(21)29-16-18-10-8-17(2)9-11-18/h4-13H,3,14-16H2,1-2H3,(H,24,26)
InChIKeyZWLDBEVDNQMWAP-UHFFFAOYSA-N
XLogP4.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
CID 39860697
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
CID 39860699
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
CID 17054828
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
CID 834197
2-[3-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214333
1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17208275
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine (CID 18778279) is N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine is CCCn1nnc(NCc2c(OCc3ccc(C)cc3)ccc3ccccc23)n1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine?
The InChIKey is ZWLDBEVDNQMWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-3-14-28-26-23(25-27-28)24-15-21-20-7-5-4-6-19(20)12-13-22(21)29-16-18-10-8-17(2)9-11-18/h4-13H,3,14-16H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine?
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine has a molecular weight of 387.49 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-2-propyltetrazol-5-amine is sourced from PubChem (CID 18778279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).