4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol

C14H23N3O2 — CID 165144364

IUPAC4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
SMILESCOc1ccc(O)c(CN2CCNCCNCC2)c1
InChIInChI=1S/C14H23N3O2/c1-19-13-2-3-14(18)12(10-13)11-17-8-6-15-4-5-16-7-9-17/h2-3,10,15-16,18H,4-9,11H2,1H3
InChIKeyOZPNMIFFNUGTAR-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.40
Rot. Bonds3

About 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol

4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol (PubChem CID 165144364) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
PubChem CID165144364
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
SMILESCOc1ccc(O)c(CN2CCNCCNCC2)c1
InChIInChI=1S/C14H23N3O2/c1-19-13-2-3-14(18)12(10-13)11-17-8-6-15-4-5-16-7-9-17/h2-3,10,15-16,18H,4-9,11H2,1H3
InChIKeyOZPNMIFFNUGTAR-UHFFFAOYSA-N
XLogP0.40
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
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1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
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CID 82981208
2-[[8-[(2,5-dihydroxyphenyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzene-1,4-diol
CID 170349898
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
5-methoxy-2-(piperazin-1-ylmethyl)benzaldehyde
CID 117340822
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine
CID 56701153
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol?
The IUPAC name of 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol (CID 165144364) is 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol.
What is the SMILES notation for 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol?
The canonical SMILES for 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol is COc1ccc(O)c(CN2CCNCCNCC2)c1.
What is the InChIKey of 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol?
The InChIKey is OZPNMIFFNUGTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-19-13-2-3-14(18)12(10-13)11-17-8-6-15-4-5-16-7-9-17/h2-3,10,15-16,18H,4-9,11H2,1H3.
What are the key properties of 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol?
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol has a molecular weight of 265.36 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol is sourced from PubChem (CID 165144364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).