2-(4-amino-2-butylphenoxy)ethanol

C12H19NO2 — CID 142157339

IUPAC2-(4-amino-2-butylphenoxy)ethanol
SMILESCCCCc1cc(N)ccc1OCCO
InChIInChI=1S/C12H19NO2/c1-2-3-4-10-9-11(13)5-6-12(10)15-8-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeySYBUTXFSGBXOQS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.98
Rot. Bonds6

About 2-(4-amino-2-butylphenoxy)ethanol

2-(4-amino-2-butylphenoxy)ethanol (PubChem CID 142157339) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-amino-2-butylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-amino-2-butylphenoxy)ethanol
PubChem CID142157339
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(4-amino-2-butylphenoxy)ethanol
SMILESCCCCc1cc(N)ccc1OCCO
InChIInChI=1S/C12H19NO2/c1-2-3-4-10-9-11(13)5-6-12(10)15-8-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeySYBUTXFSGBXOQS-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
CID 21257865
2-(2-butyl-4-cycloheptylphenoxy)ethanol
CID 22374418
2-(2-dodecylphenoxy)ethanol
CID 14475097
2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol
CID 66510838
3-[4-[4-[4-(3-hydroxypropoxy)-3-pentylphenyl]phenyl]phenoxy]propan-1-ol
CID 174566035
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide
CID 89113398
2-amino-3-(5-amino-2-octoxyphenyl)propanoic acid
CID 21127243
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160
2-[(5-amino-2-octoxyphenyl)methylsulfanyl]acetic acid
CID 3026229
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-butylphenoxy)ethanol?
The IUPAC name of 2-(4-amino-2-butylphenoxy)ethanol (CID 142157339) is 2-(4-amino-2-butylphenoxy)ethanol.
What is the SMILES notation for 2-(4-amino-2-butylphenoxy)ethanol?
The canonical SMILES for 2-(4-amino-2-butylphenoxy)ethanol is CCCCc1cc(N)ccc1OCCO.
What is the InChIKey of 2-(4-amino-2-butylphenoxy)ethanol?
The InChIKey is SYBUTXFSGBXOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-10-9-11(13)5-6-12(10)15-8-7-14/h5-6,9,14H,2-4,7-8,13H2,1H3.
What are the key properties of 2-(4-amino-2-butylphenoxy)ethanol?
2-(4-amino-2-butylphenoxy)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-butylphenoxy)ethanol is sourced from PubChem (CID 142157339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).