(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine

C14H19BrN4O — CID 79013815

IUPAC(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
SMILESCCCn1ncnc1COc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C14H19BrN4O/c1-3-6-19-14(17-9-18-19)8-20-13-5-4-11(15)7-12(13)10(2)16/h4-5,7,9-10H,3,6,8,16H2,1-2H3/t10-/m1/s1
InChIKeyYGIJRKSPXSBOMJ-SNVBAGLBSA-N
MW339.24 g/mol
LogP3.05
Rot. Bonds6

About (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine

(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 79013815) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID79013815
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
SMILESCCCn1ncnc1COc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C14H19BrN4O/c1-3-6-19-14(17-9-18-19)8-20-13-5-4-11(15)7-12(13)10(2)16/h4-5,7,9-10H,3,6,8,16H2,1-2H3/t10-/m1/s1
InChIKeyYGIJRKSPXSBOMJ-SNVBAGLBSA-N
XLogP3.05
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

(1S)-1-[5-bromo-2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013822
(1S)-1-[4-bromo-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]ethanamine
CID 102946997
1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 55109188
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025715
1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003171
(1S)-1-[5-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 104862018
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003000
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 78937365

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine (CID 79013815) is (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine is CCCn1ncnc1COc1ccc(Br)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is YGIJRKSPXSBOMJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-3-6-19-14(17-9-18-19)8-20-13-5-4-11(15)7-12(13)10(2)16/h4-5,7,9-10H,3,6,8,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 339.24 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79013815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).