N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

C16H16ClN5O — CID 17057711

IUPACN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESCc1ccc(COc2ccc(Cl)cc2CNc2nn[nH]n2)cc1
InChIInChI=1S/C16H16ClN5O/c1-11-2-4-12(5-3-11)10-23-15-7-6-14(17)8-13(15)9-18-16-19-21-22-20-16/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyNXBFUPVJBJYURH-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.35
Rot. Bonds6

About N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 17057711) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID17057711
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC NameN-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESCc1ccc(COc2ccc(Cl)cc2CNc2nn[nH]n2)cc1
InChIInChI=1S/C16H16ClN5O/c1-11-2-4-12(5-3-11)10-23-15-7-6-14(17)8-13(15)9-18-16-19-21-22-20-16/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyNXBFUPVJBJYURH-UHFFFAOYSA-N
XLogP3.35
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (CID 17057711) is N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is Cc1ccc(COc2ccc(Cl)cc2CNc2nn[nH]n2)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is NXBFUPVJBJYURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-11-2-4-12(5-3-11)10-23-15-7-6-14(17)8-13(15)9-18-16-19-21-22-20-16/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 329.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 17057711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).