(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine

C14H20N4O — CID 79013808

IUPAC(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1ncnn1CC
InChIInChI=1S/C14H20N4O/c1-3-12(15)11-7-5-6-8-13(11)19-9-14-16-10-17-18(14)4-2/h5-8,10,12H,3-4,9,15H2,1-2H3/t12-/m1/s1
InChIKeyZINFRSHVHWDHNP-GFCCVEGCSA-N
MW260.34 g/mol
LogP2.29
Rot. Bonds6

About (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine

(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine (PubChem CID 79013808) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
PubChem CID79013808
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1ncnn1CC
InChIInChI=1S/C14H20N4O/c1-3-12(15)11-7-5-6-8-13(11)19-9-14-16-10-17-18(14)4-2/h5-8,10,12H,3-4,9,15H2,1-2H3/t12-/m1/s1
InChIKeyZINFRSHVHWDHNP-GFCCVEGCSA-N
XLogP2.29
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 115533904
(1S)-1-[5-bromo-2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013822
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine (CID 79013808) is (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1OCc1ncnn1CC.
What is the InChIKey of (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is ZINFRSHVHWDHNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-12(15)11-7-5-6-8-13(11)19-9-14-16-10-17-18(14)4-2/h5-8,10,12H,3-4,9,15H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine?
(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 79013808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).