2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol

C16H28N2O2 — CID 104582210

IUPAC2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
SMILESCCC(C)N(C)CCNC(C)c1ccc(OC)cc1O
InChIInChI=1S/C16H28N2O2/c1-6-12(2)18(4)10-9-17-13(3)15-8-7-14(20-5)11-16(15)19/h7-8,11-13,17,19H,6,9-10H2,1-5H3
InChIKeyBKIKJJDHTBPUIK-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.78
Rot. Bonds8

About 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol

2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol (PubChem CID 104582210) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
PubChem CID104582210
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
SMILESCCC(C)N(C)CCNC(C)c1ccc(OC)cc1O
InChIInChI=1S/C16H28N2O2/c1-6-12(2)18(4)10-9-17-13(3)15-8-7-14(20-5)11-16(15)19/h7-8,11-13,17,19H,6,9-10H2,1-5H3
InChIKeyBKIKJJDHTBPUIK-UHFFFAOYSA-N
XLogP2.78
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methylphenol
CID 104582213
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 104582209
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
N'-butan-2-yl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103729552
tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate
CID 104582196
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol (CID 104582210) is 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol is CCC(C)N(C)CCNC(C)c1ccc(OC)cc1O.
What is the InChIKey of 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol?
The InChIKey is BKIKJJDHTBPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-12(2)18(4)10-9-17-13(3)15-8-7-14(20-5)11-16(15)19/h7-8,11-13,17,19H,6,9-10H2,1-5H3.
What are the key properties of 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol?
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol has a molecular weight of 280.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 104582210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).