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

C19H25NO — CID 43732505

IUPAC4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1cc(C)ccc1C)c1ccc(O)cc1
InChIInChI=1S/C19H25NO/c1-5-19(16-8-10-17(21)11-9-16)20-15(4)18-12-13(2)6-7-14(18)3/h6-12,15,19-21H,5H2,1-4H3
InChIKeyZZUFYHLBHPJYKV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.81
Rot. Bonds5

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

4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol (PubChem CID 43732505) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
PubChem CID43732505
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1cc(C)ccc1C)c1ccc(O)cc1
InChIInChI=1S/C19H25NO/c1-5-19(16-8-10-17(21)11-9-16)20-15(4)18-12-13(2)6-7-14(18)3/h6-12,15,19-21H,5H2,1-4H3
InChIKeyZZUFYHLBHPJYKV-UHFFFAOYSA-N
XLogP4.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[1-(2,4-dimethylphenyl)ethylamino]propyl]phenol
CID 60944426
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720303
4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350300
4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
CID 141070441
4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
CID 43680964
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol?
The IUPAC name of 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol (CID 43732505) is 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol?
The canonical SMILES for 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol is CCC(NC(C)c1cc(C)ccc1C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol?
The InChIKey is ZZUFYHLBHPJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-19(16-8-10-17(21)11-9-16)20-15(4)18-12-13(2)6-7-14(18)3/h6-12,15,19-21H,5H2,1-4H3.
What are the key properties of 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol?
4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol is sourced from PubChem (CID 43732505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).