2-(2-aminopropyl)-6-ethylphenol

C11H17NO — CID 83875214

IUPAC2-(2-aminopropyl)-6-ethylphenol
SMILESCCc1cccc(CC(C)N)c1O
InChIInChI=1S/C11H17NO/c1-3-9-5-4-6-10(11(9)13)7-8(2)12/h4-6,8,13H,3,7,12H2,1-2H3
InChIKeyTZXATKBVUPOONN-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.84
Rot. Bonds3

About 2-(2-aminopropyl)-6-ethylphenol

2-(2-aminopropyl)-6-ethylphenol (PubChem CID 83875214) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2-aminopropyl)-6-ethylphenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-6-ethylphenol
PubChem CID83875214
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2-aminopropyl)-6-ethylphenol
SMILESCCc1cccc(CC(C)N)c1O
InChIInChI=1S/C11H17NO/c1-3-9-5-4-6-10(11(9)13)7-8(2)12/h4-6,8,13H,3,7,12H2,1-2H3
InChIKeyTZXATKBVUPOONN-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766
3-[(2R)-2-aminopropyl]-2-bromophenol
CID 130742864
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-6-ethylphenol?
The IUPAC name of 2-(2-aminopropyl)-6-ethylphenol (CID 83875214) is 2-(2-aminopropyl)-6-ethylphenol.
What is the SMILES notation for 2-(2-aminopropyl)-6-ethylphenol?
The canonical SMILES for 2-(2-aminopropyl)-6-ethylphenol is CCc1cccc(CC(C)N)c1O.
What is the InChIKey of 2-(2-aminopropyl)-6-ethylphenol?
The InChIKey is TZXATKBVUPOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-5-4-6-10(11(9)13)7-8(2)12/h4-6,8,13H,3,7,12H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-6-ethylphenol?
2-(2-aminopropyl)-6-ethylphenol has a molecular weight of 179.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-6-ethylphenol is sourced from PubChem (CID 83875214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).