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

C15H20FN5O — CID 146512226

IUPAC(E)-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-DHZHZOJOSA-N
MW305.36 g/mol
LogP2.29
Rot. Bonds5

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

(E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 146512226) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is (E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID146512226
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name(E)-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-DHZHZOJOSA-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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 146512226) is (E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-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 (E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is SFQBCZXOTDPTAB-DHZHZOJOSA-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 (E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(E)-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 (E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 146512226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).