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

C14H16FN5O — CID 137473315

IUPAC(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc(-c2nnn(C3CC3)n2)cc1
InChIInChI=1S/C14H16FN5O/c15-7-10(8-16)9-21-13-5-1-11(2-6-13)14-17-19-20(18-14)12-3-4-12/h1-2,5-7,12H,3-4,8-9,16H2/b10-7+
InChIKeySFFIXUSAAHBJKN-JXMROGBWSA-N
MW289.31 g/mol
LogP1.87
Rot. Bonds6

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

(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 137473315) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is (E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID137473315
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc(-c2nnn(C3CC3)n2)cc1
InChIInChI=1S/C14H16FN5O/c15-7-10(8-16)9-21-13-5-1-11(2-6-13)14-17-19-20(18-14)12-3-4-12/h1-2,5-7,12H,3-4,8-9,16H2/b10-7+
InChIKeySFFIXUSAAHBJKN-JXMROGBWSA-N
XLogP1.87
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.87
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-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 137473315) is (E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C\F)COc1ccc(-c2nnn(C3CC3)n2)cc1.
What is the InChIKey of (E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is SFFIXUSAAHBJKN-JXMROGBWSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-7-10(8-16)9-21-13-5-1-11(2-6-13)14-17-19-20(18-14)12-3-4-12/h1-2,5-7,12H,3-4,8-9,16H2/b10-7+.
What are the key properties of (E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 289.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 137473315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).