4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol

C14H20N4O2 — CID 43703184

IUPAC4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NC(C)c2nncn2C)c1
InChIInChI=1S/C14H20N4O2/c1-9(12-7-11(20-4)5-6-13(12)19)16-10(2)14-17-15-8-18(14)3/h5-10,16,19H,1-4H3
InChIKeyKJIOKISTMGKAPT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.94
Rot. Bonds5

About 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol

4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol (PubChem CID 43703184) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
PubChem CID43703184
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NC(C)c2nncn2C)c1
InChIInChI=1S/C14H20N4O2/c1-9(12-7-11(20-4)5-6-13(12)19)16-10(2)14-17-15-8-18(14)3/h5-10,16,19H,1-4H3
InChIKeyKJIOKISTMGKAPT-UHFFFAOYSA-N
XLogP1.94
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
2-[1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-4-methoxyphenol
CID 43737447
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol
CID 61193431
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-4-methoxyphenol
CID 104980961
1-(2-chloro-4-fluorophenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43783894
2-[1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81368438
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43703199

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol?
The IUPAC name of 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol (CID 43703184) is 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol is COc1ccc(O)c(C(C)NC(C)c2nncn2C)c1.
What is the InChIKey of 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol?
The InChIKey is KJIOKISTMGKAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(12-7-11(20-4)5-6-13(12)19)16-10(2)14-17-15-8-18(14)3/h5-10,16,19H,1-4H3.
What are the key properties of 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol?
4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol has a molecular weight of 276.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43703184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).