N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine

C17H21Cl2N5O2 — CID 78363753

IUPACN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine
SMILESCCOc1cc(CNC2NNNN2)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H21Cl2N5O2/c1-2-25-15-8-12(9-20-17-21-23-24-22-17)7-14(19)16(15)26-10-11-3-5-13(18)6-4-11/h3-8,17,20-24H,2,9-10H2,1H3
InChIKeyLKVIGKOAPNZTES-UHFFFAOYSA-N
MW398.29 g/mol
LogP2.46
Rot. Bonds8

About N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine (PubChem CID 78363753) has the molecular formula C17H21Cl2N5O2 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine
PubChem CID78363753
Molecular FormulaC17H21Cl2N5O2
Molecular Weight398.29 g/mol
Exact Mass397.11
IUPAC NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine
SMILESCCOc1cc(CNC2NNNN2)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H21Cl2N5O2/c1-2-25-15-8-12(9-20-17-21-23-24-22-17)7-14(19)16(15)26-10-11-3-5-13(18)6-4-11/h3-8,17,20-24H,2,9-10H2,1H3
InChIKeyLKVIGKOAPNZTES-UHFFFAOYSA-N
XLogP2.46
TPSA78.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 52.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208514
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 11948820
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723990
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208508
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
CID 70789999
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331560
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclobutanamine;hydron;chloride
CID 70790004
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288906
[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 20988973
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716543
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158901

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine?
The IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine (CID 78363753) is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine.
What is the SMILES notation for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine?
The canonical SMILES for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine is CCOc1cc(CNC2NNNN2)cc(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine?
The InChIKey is LKVIGKOAPNZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O2/c1-2-25-15-8-12(9-20-17-21-23-24-22-17)7-14(19)16(15)26-10-11-3-5-13(18)6-4-11/h3-8,17,20-24H,2,9-10H2,1H3.
What are the key properties of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine?
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine has a molecular weight of 398.29 g/mol, XLogP of 2.46, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine is sourced from PubChem (CID 78363753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).