2-(aminomethyl)-4,6-dibutylphenol

C15H25NO — CID 167065415

IUPAC2-(aminomethyl)-4,6-dibutylphenol
SMILESCCCCc1cc(CN)c(O)c(CCCC)c1
InChIInChI=1S/C15H25NO/c1-3-5-7-12-9-13(8-6-4-2)15(17)14(10-12)11-16/h9-10,17H,3-8,11,16H2,1-2H3
InChIKeyPACZQKPFXQQRRL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds7

About 2-(aminomethyl)-4,6-dibutylphenol

2-(aminomethyl)-4,6-dibutylphenol (PubChem CID 167065415) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(aminomethyl)-4,6-dibutylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-4,6-dibutylphenol
PubChem CID167065415
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(aminomethyl)-4,6-dibutylphenol
SMILESCCCCc1cc(CN)c(O)c(CCCC)c1
InChIInChI=1S/C15H25NO/c1-3-5-7-12-9-13(8-6-4-2)15(17)14(10-12)11-16/h9-10,17H,3-8,11,16H2,1-2H3
InChIKeyPACZQKPFXQQRRL-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
4-butyl-2,6-didodecylphenol
CID 66619638
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2,4,6-triheptylphenol
CID 139692303
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2-(aminomethyl)-6-iodo-4-pentylphenol;hydrochloride
CID 21430743
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-butyl-4-ethyl-6-propylphenol
CID 66988794
4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol
CID 67566752
2-(aminomethyl)-6-butylphenol
CID 142528852
2,6-diethyl-4-pentylphenol
CID 66879488
2-ethyl-6-pentyl-4-propylphenol
CID 66878892

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,6-dibutylphenol?
The IUPAC name of 2-(aminomethyl)-4,6-dibutylphenol (CID 167065415) is 2-(aminomethyl)-4,6-dibutylphenol.
What is the SMILES notation for 2-(aminomethyl)-4,6-dibutylphenol?
The canonical SMILES for 2-(aminomethyl)-4,6-dibutylphenol is CCCCc1cc(CN)c(O)c(CCCC)c1.
What is the InChIKey of 2-(aminomethyl)-4,6-dibutylphenol?
The InChIKey is PACZQKPFXQQRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-5-7-12-9-13(8-6-4-2)15(17)14(10-12)11-16/h9-10,17H,3-8,11,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4,6-dibutylphenol?
2-(aminomethyl)-4,6-dibutylphenol has a molecular weight of 235.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,6-dibutylphenol is sourced from PubChem (CID 167065415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).