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

C15H22N4O — CID 81387684

IUPAC(1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1ncnn1C(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)19-15(17-10-18-19)9-16-12(3)13-7-5-6-8-14(13)20-4/h5-8,10-12,16H,9H2,1-4H3/t12-/m1/s1
InChIKeyXGHLMUGVFZUZCX-GFCCVEGCSA-N
MW274.37 g/mol
LogP2.72
Rot. Bonds6

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

(1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 81387684) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID81387684
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1ncnn1C(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)19-15(17-10-18-19)9-16-12(3)13-7-5-6-8-14(13)20-4/h5-8,10-12,16H,9H2,1-4H3/t12-/m1/s1
InChIKeyXGHLMUGVFZUZCX-GFCCVEGCSA-N
XLogP2.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387532
(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81371019
[1-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103777568
(1R)-2,2,2-trifluoro-1-naphthalen-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 129359238
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 81387684) is (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is COc1ccccc1[C@@H](C)NCc1ncnn1C(C)C.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is XGHLMUGVFZUZCX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)19-15(17-10-18-19)9-16-12(3)13-7-5-6-8-14(13)20-4/h5-8,10-12,16H,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
(1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 81387684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).