N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine

C18H19Cl2N5O — CID 3644624

IUPACN-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1cccc(C)c1
InChIInChI=1S/C18H19Cl2N5O/c1-4-21-16(14-9-12(19)10-15(20)17(14)26-3)18-22-23-24-25(18)13-7-5-6-11(2)8-13/h5-10,16,21H,4H2,1-3H3
InChIKeyZNSARZOLESYDMT-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.99
Rot. Bonds6

About N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine

N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 3644624) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID3644624
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1cccc(C)c1
InChIInChI=1S/C18H19Cl2N5O/c1-4-21-16(14-9-12(19)10-15(20)17(14)26-3)18-22-23-24-25(18)13-7-5-6-11(2)8-13/h5-10,16,21H,4H2,1-3H3
InChIKeyZNSARZOLESYDMT-UHFFFAOYSA-N
XLogP3.99
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine 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-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine (CID 3644624) is N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine is CCNC(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1cccc(C)c1.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is ZNSARZOLESYDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-4-21-16(14-9-12(19)10-15(20)17(14)26-3)18-22-23-24-25(18)13-7-5-6-11(2)8-13/h5-10,16,21H,4H2,1-3H3.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 392.29 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(3-methylphenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 3644624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).