5-[2-azidoethyl(ethyl)amino]-2-methylphenol

C11H16N4O — CID 58272030

IUPAC5-[2-azidoethyl(ethyl)amino]-2-methylphenol
SMILESCCN(CCN=[N+]=[N-])c1ccc(C)c(O)c1
InChIInChI=1S/C11H16N4O/c1-3-15(7-6-13-14-12)10-5-4-9(2)11(16)8-10/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyUFKBNYSPWOGBKV-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.84
Rot. Bonds5

About 5-[2-azidoethyl(ethyl)amino]-2-methylphenol

5-[2-azidoethyl(ethyl)amino]-2-methylphenol (PubChem CID 58272030) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[2-azidoethyl(ethyl)amino]-2-methylphenol.

Molecular Properties

Compound Name5-[2-azidoethyl(ethyl)amino]-2-methylphenol
PubChem CID58272030
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[2-azidoethyl(ethyl)amino]-2-methylphenol
SMILESCCN(CCN=[N+]=[N-])c1ccc(C)c(O)c1
InChIInChI=1S/C11H16N4O/c1-3-15(7-6-13-14-12)10-5-4-9(2)11(16)8-10/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyUFKBNYSPWOGBKV-UHFFFAOYSA-N
XLogP2.84
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol
CID 170298628
2-[4-[2-azidoethyl(ethyl)amino]phenyl]-4-methylcyclobutene-1,3-diolate;5-(dibutylamino)-2-methylphenol;3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone
CID 162291019
N-(2-azidoethyl)-N-ethylnaphthalen-1-amine
CID 63462242
3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline
CID 143655102
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
2-methyl-5-[methyl(propan-2-yl)amino]phenol
CID 142192144
5-azido-2-methylphenol
CID 90382117
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
CID 4646676

Frequently Asked Questions

What is the IUPAC name of 5-[2-azidoethyl(ethyl)amino]-2-methylphenol?
The IUPAC name of 5-[2-azidoethyl(ethyl)amino]-2-methylphenol (CID 58272030) is 5-[2-azidoethyl(ethyl)amino]-2-methylphenol.
What is the SMILES notation for 5-[2-azidoethyl(ethyl)amino]-2-methylphenol?
The canonical SMILES for 5-[2-azidoethyl(ethyl)amino]-2-methylphenol is CCN(CCN=[N+]=[N-])c1ccc(C)c(O)c1.
What is the InChIKey of 5-[2-azidoethyl(ethyl)amino]-2-methylphenol?
The InChIKey is UFKBNYSPWOGBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-15(7-6-13-14-12)10-5-4-9(2)11(16)8-10/h4-5,8,16H,3,6-7H2,1-2H3.
What are the key properties of 5-[2-azidoethyl(ethyl)amino]-2-methylphenol?
5-[2-azidoethyl(ethyl)amino]-2-methylphenol has a molecular weight of 220.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-azidoethyl(ethyl)amino]-2-methylphenol is sourced from PubChem (CID 58272030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).