2-[(2-aminoethylamino)methyl]-4-tert-butylphenol

C13H22N2O — CID 12761847

IUPAC2-[(2-aminoethylamino)methyl]-4-tert-butylphenol
SMILESCC(C)(C)c1ccc(O)c(CNCCN)c1
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-4-5-12(16)10(8-11)9-15-7-6-14/h4-5,8,15-16H,6-7,9,14H2,1-3H3
InChIKeyFAEWTRCGMYNACC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.74
Rot. Bonds4

About 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol

2-[(2-aminoethylamino)methyl]-4-tert-butylphenol (PubChem CID 12761847) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol.

Molecular Properties

Compound Name2-[(2-aminoethylamino)methyl]-4-tert-butylphenol
PubChem CID12761847
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[(2-aminoethylamino)methyl]-4-tert-butylphenol
SMILESCC(C)(C)c1ccc(O)c(CNCCN)c1
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-4-5-12(16)10(8-11)9-15-7-6-14/h4-5,8,15-16H,6-7,9,14H2,1-3H3
InChIKeyFAEWTRCGMYNACC-UHFFFAOYSA-N
XLogP1.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
N'-[(4-tert-butyl-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201234
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
2-[(4-aminobutylamino)methyl]-4-chlorophenol
CID 60894703
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
2-(2-amino-2-methylpropyl)-4-tert-butylphenol
CID 117317076
2-[[2-[2-(2-aminoethylamino)ethylamino]ethylamino]methyl]-4-nonylphenol
CID 72713336
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
CID 15322598
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992
2-[[2-(4-tert-butylphenyl)sulfonylethylamino]methyl]-4-fluorophenol
CID 167759201

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol?
The IUPAC name of 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol (CID 12761847) is 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol.
What is the SMILES notation for 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol?
The canonical SMILES for 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol is CC(C)(C)c1ccc(O)c(CNCCN)c1.
What is the InChIKey of 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol?
The InChIKey is FAEWTRCGMYNACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)11-4-5-12(16)10(8-11)9-15-7-6-14/h4-5,8,15-16H,6-7,9,14H2,1-3H3.
What are the key properties of 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol?
2-[(2-aminoethylamino)methyl]-4-tert-butylphenol has a molecular weight of 222.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoethylamino)methyl]-4-tert-butylphenol is sourced from PubChem (CID 12761847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).