(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine

C13H18N4O2 — CID 97288117

IUPAC(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCOc1ccc([C@@H](N)c2ncn(C)n2)cc1OC
InChIInChI=1S/C13H18N4O2/c1-4-19-10-6-5-9(7-11(10)18-3)12(14)13-15-8-17(2)16-13/h5-8,12H,4,14H2,1-3H3/t12-/m1/s1
InChIKeyMPEKBLRPZMGGGZ-GFCCVEGCSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds5

About (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine

(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 97288117) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID97288117
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCOc1ccc([C@@H](N)c2ncn(C)n2)cc1OC
InChIInChI=1S/C13H18N4O2/c1-4-19-10-6-5-9(7-11(10)18-3)12(14)13-15-8-17(2)16-13/h5-8,12H,4,14H2,1-3H3/t12-/m1/s1
InChIKeyMPEKBLRPZMGGGZ-GFCCVEGCSA-N
XLogP1.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-(1,5-dimethyl-1,2,4-triazol-3-yl)-(3-ethoxy-4-methoxyphenyl)methanamine
CID 97288258
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287703
(R)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287702
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
(1S)-1-(4-ethoxy-3-methoxyphenyl)pentane-1,5-diamine
CID 171231818

Frequently Asked Questions

What is the IUPAC name of (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine (CID 97288117) is (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine is CCOc1ccc([C@@H](N)c2ncn(C)n2)cc1OC.
What is the InChIKey of (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is MPEKBLRPZMGGGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-19-10-6-5-9(7-11(10)18-3)12(14)13-15-8-17(2)16-13/h5-8,12H,4,14H2,1-3H3/t12-/m1/s1.
What are the key properties of (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine?
(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 262.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 97288117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).