(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine

C14H20N4O — CID 81387532

IUPAC(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCCn1ncnc1CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H20N4O/c1-4-18-14(16-10-17-18)9-15-11(2)12-7-5-6-8-13(12)19-3/h5-8,10-11,15H,4,9H2,1-3H3/t11-/m1/s1
InChIKeyQSXWSLZXUZQQCM-LLVKDONJSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds6

About (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine

(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81387532) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81387532
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCCn1ncnc1CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H20N4O/c1-4-18-14(16-10-17-18)9-15-11(2)12-7-5-6-8-13(12)19-3/h5-8,10-11,15H,4,9H2,1-3H3/t11-/m1/s1
InChIKeyQSXWSLZXUZQQCM-LLVKDONJSA-N
XLogP2.16
TPSA51.97 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81387684
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103777568
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
(1R)-1-(2-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81378193
1-(2-ethoxyphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 115533904
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 79013808
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 81387532) is (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine is CCn1ncnc1CN[C@H](C)c1ccccc1OC.
What is the InChIKey of (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is QSXWSLZXUZQQCM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-18-14(16-10-17-18)9-15-11(2)12-7-5-6-8-13(12)19-3/h5-8,10-11,15H,4,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81387532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).