2,5-dimethyl-4-(pentylamino)phenol

C13H21NO — CID 106953723

IUPAC2,5-dimethyl-4-(pentylamino)phenol
SMILESCCCCCNc1cc(C)c(O)cc1C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-14-12-8-11(3)13(15)9-10(12)2/h8-9,14-15H,4-7H2,1-3H3
InChIKeyZEDOZFGXZIJUAH-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.61
Rot. Bonds5

About 2,5-dimethyl-4-(pentylamino)phenol

2,5-dimethyl-4-(pentylamino)phenol (PubChem CID 106953723) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,5-dimethyl-4-(pentylamino)phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-(pentylamino)phenol
PubChem CID106953723
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,5-dimethyl-4-(pentylamino)phenol
SMILESCCCCCNc1cc(C)c(O)cc1C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-14-12-8-11(3)13(15)9-10(12)2/h8-9,14-15H,4-7H2,1-3H3
InChIKeyZEDOZFGXZIJUAH-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4,5-dimethoxy-2-methylaniline
CID 43228540
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
2-(hexadecylamino)phenol
CID 154256819
2-chloro-5-methyl-4-N-octylbenzene-1,4-diamine
CID 115566164
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
4-bromo-N-heptyl-2-methylaniline
CID 43129195
5-ethyl-2-(pentylamino)phenol
CID 70255943
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
2,4-dimethyl-5-nitro-N-octylaniline
CID 104757498
4-methoxy-2-methyl-N-nonylaniline
CID 63492120

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(pentylamino)phenol?
The IUPAC name of 2,5-dimethyl-4-(pentylamino)phenol (CID 106953723) is 2,5-dimethyl-4-(pentylamino)phenol.
What is the SMILES notation for 2,5-dimethyl-4-(pentylamino)phenol?
The canonical SMILES for 2,5-dimethyl-4-(pentylamino)phenol is CCCCCNc1cc(C)c(O)cc1C.
What is the InChIKey of 2,5-dimethyl-4-(pentylamino)phenol?
The InChIKey is ZEDOZFGXZIJUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-6-7-14-12-8-11(3)13(15)9-10(12)2/h8-9,14-15H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(pentylamino)phenol?
2,5-dimethyl-4-(pentylamino)phenol has a molecular weight of 207.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(pentylamino)phenol is sourced from PubChem (CID 106953723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).