(Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

C15H20FN5O — CID 162369037

IUPAC(Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESCC(C)(C)n1nnc(-c2ccc(OC/C(=C\F)CN)cc2)n1
InChIInChI=1S/C15H20FN5O/c1-15(2,3)21-19-14(18-20-21)12-4-6-13(7-5-12)22-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3/b11-8-
InChIKeySFQBCZXOTDPTAB-FLIBITNWSA-N
MW305.36 g/mol
LogP2.29
Rot. Bonds5

About (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

(Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 162369037) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID162369037
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name(Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESCC(C)(C)n1nnc(-c2ccc(OC/C(=C\F)CN)cc2)n1
InChIInChI=1S/C15H20FN5O/c1-15(2,3)21-19-14(18-20-21)12-4-6-13(7-5-12)22-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3/b11-8-
InChIKeySFQBCZXOTDPTAB-FLIBITNWSA-N
XLogP2.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine 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 (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 162369037) is (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is CC(C)(C)n1nnc(-c2ccc(OC/C(=C\F)CN)cc2)n1.
What is the InChIKey of (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is SFQBCZXOTDPTAB-FLIBITNWSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-15(2,3)21-19-14(18-20-21)12-4-6-13(7-5-12)22-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3/b11-8-.
What are the key properties of (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 305.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 162369037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).