N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine

C18H18Cl3N5O2 — CID 66540391

IUPACN-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C18H18Cl3N5O2/c1-3-26-18(23-24-25-26)22-9-12-7-16(27-2)17(8-14(12)20)28-10-11-4-5-13(19)15(21)6-11/h4-8H,3,9-10H2,1-2H3,(H,22,23,25)
InChIKeyLSSVOKJDIKJMMX-UHFFFAOYSA-N
MW442.73 g/mol
LogP4.85
Rot. Bonds8

About N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine

N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine (PubChem CID 66540391) has the molecular formula C18H18Cl3N5O2 and a molecular weight of 442.73 g/mol. Its IUPAC name is N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
PubChem CID66540391
Molecular FormulaC18H18Cl3N5O2
Molecular Weight442.73 g/mol
Exact Mass441.05
IUPAC NameN-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C18H18Cl3N5O2/c1-3-26-18(23-24-25-26)22-9-12-7-16(27-2)17(8-14(12)20)28-10-11-4-5-13(19)15(21)6-11/h4-8H,3,9-10H2,1-2H3,(H,22,23,25)
InChIKeyLSSVOKJDIKJMMX-UHFFFAOYSA-N
XLogP4.85
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.73
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66539665
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542535
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66545060
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[[2-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66540004
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine
CID 66540970
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66543215
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 66540944
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 4727502
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66540383

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine (CID 66540391) is N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The InChIKey is LSSVOKJDIKJMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N5O2/c1-3-26-18(23-24-25-26)22-9-12-7-16(27-2)17(8-14(12)20)28-10-11-4-5-13(19)15(21)6-11/h4-8H,3,9-10H2,1-2H3,(H,22,23,25).
What are the key properties of N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine has a molecular weight of 442.73 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 66540391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).