N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine

C14H18ClN5O2 — CID 4726668

IUPACN-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1cc(Cl)c(OC)c(OCC)c1
InChIInChI=1S/C14H18ClN5O2/c1-4-6-20-14(17-18-19-20)16-9-10-7-11(15)13(21-3)12(8-10)22-5-2/h4,7-8H,1,5-6,9H2,2-3H3,(H,16,17,19)
InChIKeyFYJAQENPVDAUNE-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.53
Rot. Bonds8

About N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine

N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine (PubChem CID 4726668) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
PubChem CID4726668
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC NameN-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1cc(Cl)c(OC)c(OCC)c1
InChIInChI=1S/C14H18ClN5O2/c1-4-6-20-14(17-18-19-20)16-9-10-7-11(15)13(21-3)12(8-10)22-5-2/h4,7-8H,1,5-6,9H2,2-3H3,(H,16,17,19)
InChIKeyFYJAQENPVDAUNE-UHFFFAOYSA-N
XLogP2.53
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726583
2-[2-chloro-6-ethoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539378
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541765
2-[2-chloro-6-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
CID 4727524
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726531
N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726685
2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
CID 4726459
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541589
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine
CID 71855762
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4726994
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66539665
2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4726595

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The IUPAC name of N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine (CID 4726668) is N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The canonical SMILES for N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine is C=CCn1nnnc1NCc1cc(Cl)c(OC)c(OCC)c1.
What is the InChIKey of N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The InChIKey is FYJAQENPVDAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-4-6-20-14(17-18-19-20)16-9-10-7-11(15)13(21-3)12(8-10)22-5-2/h4,7-8H,1,5-6,9H2,2-3H3,(H,16,17,19).
What are the key properties of N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine has a molecular weight of 323.78 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 4726668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).