(E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine

C12H14FN5O — CID 137473553

IUPAC(E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCn1nnnc1-c1ccc(OC/C(=C/F)CN)cc1
InChIInChI=1S/C12H14FN5O/c1-18-12(15-16-17-18)10-2-4-11(5-3-10)19-8-9(6-13)7-14/h2-6H,7-8,14H2,1H3/b9-6+
InChIKeyGCUUTJPYVXYUHD-RMKNXTFCSA-N
MW263.28 g/mol
LogP1.07
Rot. Bonds5

About (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 137473553) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID137473553
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name(E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCn1nnnc1-c1ccc(OC/C(=C/F)CN)cc1
InChIInChI=1S/C12H14FN5O/c1-18-12(15-16-17-18)10-2-4-11(5-3-10)19-8-9(6-13)7-14/h2-6H,7-8,14H2,1H3/b9-6+
InChIKeyGCUUTJPYVXYUHD-RMKNXTFCSA-N
XLogP1.07
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725808
N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727592
N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725806
(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 137473315
(Z)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 137473330
(E)-2-[[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146511993
(E)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512011
(E)-3-fluoro-2-[[4-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512013
(E)-3-fluoro-2-[[4-[1-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512046
(E)-3-fluoro-2-[[4-[5-(1-fluorocyclopropyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512048
(E)-2-[[4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512055
(E)-2-[[4-[5-(difluoromethyl)-1-ethyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512058

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine (CID 137473553) is (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine is Cn1nnnc1-c1ccc(OC/C(=C/F)CN)cc1.
What is the InChIKey of (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is GCUUTJPYVXYUHD-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-18-12(15-16-17-18)10-2-4-11(5-3-10)19-8-9(6-13)7-14/h2-6H,7-8,14H2,1H3/b9-6+.
What are the key properties of (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 263.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[4-(1-methyltetrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 137473553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).