2-ethyl-4-(propan-2-ylamino)phenol

C11H17NO — CID 174681793

IUPAC2-ethyl-4-(propan-2-ylamino)phenol
SMILESCCc1cc(NC(C)C)ccc1O
InChIInChI=1S/C11H17NO/c1-4-9-7-10(12-8(2)3)5-6-11(9)13/h5-8,12-13H,4H2,1-3H3
InChIKeySIYPQXJSHGSPNW-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.77
Rot. Bonds3

About 2-ethyl-4-(propan-2-ylamino)phenol

2-ethyl-4-(propan-2-ylamino)phenol (PubChem CID 174681793) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-ethyl-4-(propan-2-ylamino)phenol.

Molecular Properties

Compound Name2-ethyl-4-(propan-2-ylamino)phenol
PubChem CID174681793
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-ethyl-4-(propan-2-ylamino)phenol
SMILESCCc1cc(NC(C)C)ccc1O
InChIInChI=1S/C11H17NO/c1-4-9-7-10(12-8(2)3)5-6-11(9)13/h5-8,12-13H,4H2,1-3H3
InChIKeySIYPQXJSHGSPNW-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethyl-4-hydroxyphenyl)formamide
CID 130016232
4-di(propan-2-yl)silyloxy-2-ethylphenol
CID 139213599
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
(2R)-2-(3,4-dihydroxyanilino)propanoic acid
CID 69224592
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol
CID 139671739
2-(hydroxymethyl)-4-(methylamino)phenol
CID 15333568
N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 12883574
N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 125464014
1-[4-(propan-2-ylamino)phenyl]butan-1-one
CID 18723683
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
2-butyl-4-(methylamino)phenol
CID 154275387
N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline
CID 174838160

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(propan-2-ylamino)phenol?
The IUPAC name of 2-ethyl-4-(propan-2-ylamino)phenol (CID 174681793) is 2-ethyl-4-(propan-2-ylamino)phenol.
What is the SMILES notation for 2-ethyl-4-(propan-2-ylamino)phenol?
The canonical SMILES for 2-ethyl-4-(propan-2-ylamino)phenol is CCc1cc(NC(C)C)ccc1O.
What is the InChIKey of 2-ethyl-4-(propan-2-ylamino)phenol?
The InChIKey is SIYPQXJSHGSPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9-7-10(12-8(2)3)5-6-11(9)13/h5-8,12-13H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-(propan-2-ylamino)phenol?
2-ethyl-4-(propan-2-ylamino)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(propan-2-ylamino)phenol is sourced from PubChem (CID 174681793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).