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

C17H21NO — CID 106953903

IUPAC2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
SMILESCc1ccc(C(C)Nc2cc(C)c(O)cc2C)cc1
InChIInChI=1S/C17H21NO/c1-11-5-7-15(8-6-11)14(4)18-16-9-13(3)17(19)10-12(16)2/h5-10,14,18-19H,1-4H3
InChIKeyPZDOBVHCKNWNIT-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.49
Rot. Bonds3

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

2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol (PubChem CID 106953903) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
PubChem CID106953903
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
SMILESCc1ccc(C(C)Nc2cc(C)c(O)cc2C)cc1
InChIInChI=1S/C17H21NO/c1-11-5-7-15(8-6-11)14(4)18-16-9-13(3)17(19)10-12(16)2/h5-10,14,18-19H,1-4H3
InChIKeyPZDOBVHCKNWNIT-UHFFFAOYSA-N
XLogP4.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.49
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

4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
CID 106953585
4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43716780
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 115554734
4-[1-(5-bromothiophen-2-yl)ethylamino]-2,5-dimethylphenol
CID 106953509
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
CID 106953882
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 103590140

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol?
The IUPAC name of 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol (CID 106953903) is 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol.
What is the SMILES notation for 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol?
The canonical SMILES for 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol is Cc1ccc(C(C)Nc2cc(C)c(O)cc2C)cc1.
What is the InChIKey of 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol?
The InChIKey is PZDOBVHCKNWNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-5-7-15(8-6-11)14(4)18-16-9-13(3)17(19)10-12(16)2/h5-10,14,18-19H,1-4H3.
What are the key properties of 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol?
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol has a molecular weight of 255.36 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol is sourced from PubChem (CID 106953903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).