3-[1-(2,5-dimethylphenyl)ethylamino]phenol

C16H19NO — CID 43207007

IUPAC3-[1-(2,5-dimethylphenyl)ethylamino]phenol
SMILESCc1ccc(C)c(C(C)Nc2cccc(O)c2)c1
InChIInChI=1S/C16H19NO/c1-11-7-8-12(2)16(9-11)13(3)17-14-5-4-6-15(18)10-14/h4-10,13,17-18H,1-3H3
InChIKeyXLHQGLHWZFPJMP-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.18
Rot. Bonds3

About 3-[1-(2,5-dimethylphenyl)ethylamino]phenol

3-[1-(2,5-dimethylphenyl)ethylamino]phenol (PubChem CID 43207007) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylphenyl)ethylamino]phenol.

Molecular Properties

Compound Name3-[1-(2,5-dimethylphenyl)ethylamino]phenol
PubChem CID43207007
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-[1-(2,5-dimethylphenyl)ethylamino]phenol
SMILESCc1ccc(C)c(C(C)Nc2cccc(O)c2)c1
InChIInChI=1S/C16H19NO/c1-11-7-8-12(2)16(9-11)13(3)17-14-5-4-6-15(18)10-14/h4-10,13,17-18H,1-3H3
InChIKeyXLHQGLHWZFPJMP-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

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Related Compounds

4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
CID 43672059
2-[1-(3-chloroanilino)ethyl]-4-methylphenol
CID 43504663
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
CID 43097532
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65191851
N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylaniline
CID 43094148
N-[1-(2,5-dimethylphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43109710
2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
CID 61237493
N-[1-(2,5-dimethylphenyl)ethyl]quinolin-6-amine
CID 62636644
3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 43771050
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]phenol?
The IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]phenol (CID 43207007) is 3-[1-(2,5-dimethylphenyl)ethylamino]phenol.
What is the SMILES notation for 3-[1-(2,5-dimethylphenyl)ethylamino]phenol?
The canonical SMILES for 3-[1-(2,5-dimethylphenyl)ethylamino]phenol is Cc1ccc(C)c(C(C)Nc2cccc(O)c2)c1.
What is the InChIKey of 3-[1-(2,5-dimethylphenyl)ethylamino]phenol?
The InChIKey is XLHQGLHWZFPJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-7-8-12(2)16(9-11)13(3)17-14-5-4-6-15(18)10-14/h4-10,13,17-18H,1-3H3.
What are the key properties of 3-[1-(2,5-dimethylphenyl)ethylamino]phenol?
3-[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 3-[1-(2,5-dimethylphenyl)ethylamino]phenol is sourced from PubChem (CID 43207007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).