2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol

C15H25NO — CID 152707169

IUPAC2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol
SMILESCCCCCNCCc1c(C)ccc(O)c1C
InChIInChI=1S/C15H25NO/c1-4-5-6-10-16-11-9-14-12(2)7-8-15(17)13(14)3/h7-8,16-17H,4-6,9-11H2,1-3H3
InChIKeyZSUXVFYQNRPSSJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.33
Rot. Bonds7

About 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol

2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol (PubChem CID 152707169) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol.

Molecular Properties

Compound Name2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol
PubChem CID152707169
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol
SMILESCCCCCNCCc1c(C)ccc(O)c1C
InChIInChI=1S/C15H25NO/c1-4-5-6-10-16-11-9-14-12(2)7-8-15(17)13(14)3/h7-8,16-17H,4-6,9-11H2,1-3H3
InChIKeyZSUXVFYQNRPSSJ-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-octylbenzene-1,4-diol
CID 67742656
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498
3-ethyl-4-methyl-2-nonylphenol
CID 66865942
4-[2-(pentylamino)ethyl]phenol
CID 61236551
2-heptyl-4-methyl-3-propylphenol
CID 66865859
2-butyl-3-methylphenol;2,3-dimethylphenol
CID 67848527
2,3-dihexylbenzene-1,4-diol
CID 69329716
2,4-dimethyl-3-pentylaniline
CID 68571869
2-(dimethylamino)-4-methyl-3-nonylphenol
CID 19906462
2-hexadec-5-enyl-3-methylbenzene-1,4-diol
CID 67637176
2-butyl-3-methylphenol
CID 174788119
2-hexyl-3-methylphenol
CID 28322

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol?
The IUPAC name of 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol (CID 152707169) is 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol.
What is the SMILES notation for 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol?
The canonical SMILES for 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol is CCCCCNCCc1c(C)ccc(O)c1C.
What is the InChIKey of 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol?
The InChIKey is ZSUXVFYQNRPSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-10-16-11-9-14-12(2)7-8-15(17)13(14)3/h7-8,16-17H,4-6,9-11H2,1-3H3.
What are the key properties of 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol?
2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[2-(pentylamino)ethyl]phenol is sourced from PubChem (CID 152707169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).