N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine

C18H19ClFN5O2 — CID 979878

IUPACN-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1
InChIInChI=1S/C18H19ClFN5O2/c1-3-25-18(22-23-24-25)21-10-12-7-8-16(17(9-12)26-2)27-11-13-14(19)5-4-6-15(13)20/h4-9H,3,10-11H2,1-2H3,(H,21,22,24)
InChIKeyWSEZUNKGZNYRRA-UHFFFAOYSA-N
MW391.83 g/mol
LogP3.69
Rot. Bonds8

About N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine

N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine (PubChem CID 979878) has the molecular formula C18H19ClFN5O2 and a molecular weight of 391.83 g/mol. Its IUPAC name is N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
PubChem CID979878
Molecular FormulaC18H19ClFN5O2
Molecular Weight391.83 g/mol
Exact Mass391.12
IUPAC NameN-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1
InChIInChI=1S/C18H19ClFN5O2/c1-3-25-18(22-23-24-25)21-10-12-7-8-16(17(9-12)26-2)27-11-13-14(19)5-4-6-15(13)20/h4-9H,3,10-11H2,1-2H3,(H,21,22,24)
InChIKeyWSEZUNKGZNYRRA-UHFFFAOYSA-N
XLogP3.69
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine (CID 979878) is N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1.
What is the InChIKey of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
The InChIKey is WSEZUNKGZNYRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5O2/c1-3-25-18(22-23-24-25)21-10-12-7-8-16(17(9-12)26-2)27-11-13-14(19)5-4-6-15(13)20/h4-9H,3,10-11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine?
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine has a molecular weight of 391.83 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 979878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).