4-[1-(2,5-dimethylphenyl)ethylamino]phenol

C16H19NO — CID 43742646

IUPAC4-[1-(2,5-dimethylphenyl)ethylamino]phenol
SMILESCc1ccc(C)c(C(C)Nc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO/c1-11-4-5-12(2)16(10-11)13(3)17-14-6-8-15(18)9-7-14/h4-10,13,17-18H,1-3H3
InChIKeyQMVZYZMXGABDOX-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.18
Rot. Bonds3

About 4-[1-(2,5-dimethylphenyl)ethylamino]phenol

4-[1-(2,5-dimethylphenyl)ethylamino]phenol (PubChem CID 43742646) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylphenyl)ethylamino]phenol.

Molecular Properties

Compound Name4-[1-(2,5-dimethylphenyl)ethylamino]phenol
PubChem CID43742646
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[1-(2,5-dimethylphenyl)ethylamino]phenol
SMILESCc1ccc(C)c(C(C)Nc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO/c1-11-4-5-12(2)16(10-11)13(3)17-14-6-8-15(18)9-7-14/h4-10,13,17-18H,1-3H3
InChIKeyQMVZYZMXGABDOX-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.18
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

3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylaniline
CID 43094148
2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
CID 61237493
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
CID 43097532
2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
CID 43196503
N-[1-(2,5-dimethylphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43109710
4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
CID 43732505
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
CID 43672059
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550
2-[1-(3-bromo-4-methylanilino)ethyl]-5-methylphenol
CID 63332922
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 43504634

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylphenyl)ethylamino]phenol?
The IUPAC name of 4-[1-(2,5-dimethylphenyl)ethylamino]phenol (CID 43742646) is 4-[1-(2,5-dimethylphenyl)ethylamino]phenol.
What is the SMILES notation for 4-[1-(2,5-dimethylphenyl)ethylamino]phenol?
The canonical SMILES for 4-[1-(2,5-dimethylphenyl)ethylamino]phenol is Cc1ccc(C)c(C(C)Nc2ccc(O)cc2)c1.
What is the InChIKey of 4-[1-(2,5-dimethylphenyl)ethylamino]phenol?
The InChIKey is QMVZYZMXGABDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-4-5-12(2)16(10-11)13(3)17-14-6-8-15(18)9-7-14/h4-10,13,17-18H,1-3H3.
What are the key properties of 4-[1-(2,5-dimethylphenyl)ethylamino]phenol?
4-[1-(2,5-dimethylphenyl)ethylamino]phenol has a molecular weight of 241.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylphenyl)ethylamino]phenol is sourced from PubChem (CID 43742646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).