(E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine

C19H26FN5O2 — CID 146512150

IUPAC(E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCC(C)n1nc(-c2ccc(OC/C(=C/F)CN)cc2)nc1N1CCOCC1
InChIInChI=1S/C19H26FN5O2/c1-14(2)25-19(24-7-9-26-10-8-24)22-18(23-25)16-3-5-17(6-4-16)27-13-15(11-20)12-21/h3-6,11,14H,7-10,12-13,21H2,1-2H3/b15-11+
InChIKeyHFERBCOWNVQVGV-RVDMUPIBSA-N
MW375.45 g/mol
LogP2.55
Rot. Bonds7

About (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146512150) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID146512150
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name(E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCC(C)n1nc(-c2ccc(OC/C(=C/F)CN)cc2)nc1N1CCOCC1
InChIInChI=1S/C19H26FN5O2/c1-14(2)25-19(24-7-9-26-10-8-24)22-18(23-25)16-3-5-17(6-4-16)27-13-15(11-20)12-21/h3-6,11,14H,7-10,12-13,21H2,1-2H3/b15-11+
InChIKeyHFERBCOWNVQVGV-RVDMUPIBSA-N
XLogP2.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

Loxtidine
CID 55473
4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]methyl}-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1272711
(E)-2-[[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146511993
(E)-3-fluoro-2-[[4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146511997
(E)-2-[[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512002
(E)-2-[[4-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512009
(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-[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
(E)-3-fluoro-2-[[4-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512068

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (CID 146512150) is (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is CC(C)n1nc(-c2ccc(OC/C(=C/F)CN)cc2)nc1N1CCOCC1.
What is the InChIKey of (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is HFERBCOWNVQVGV-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-14(2)25-19(24-7-9-26-10-8-24)22-18(23-25)16-3-5-17(6-4-16)27-13-15(11-20)12-21/h3-6,11,14H,7-10,12-13,21H2,1-2H3/b15-11+.
What are the key properties of (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 375.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 146512150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).