4-[2-(pentylamino)ethyl]phenol

C13H21NO — CID 61236551

IUPAC4-[2-(pentylamino)ethyl]phenol
SMILESCCCCCNCCc1ccc(O)cc1
InChIInChI=1S/C13H21NO/c1-2-3-4-10-14-11-9-12-5-7-13(15)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyPPQXPGUKBRNNNO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.71
Rot. Bonds7

About 4-[2-(pentylamino)ethyl]phenol

4-[2-(pentylamino)ethyl]phenol (PubChem CID 61236551) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[2-(pentylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(pentylamino)ethyl]phenol
PubChem CID61236551
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[2-(pentylamino)ethyl]phenol
SMILESCCCCCNCCc1ccc(O)cc1
InChIInChI=1S/C13H21NO/c1-2-3-4-10-14-11-9-12-5-7-13(15)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyPPQXPGUKBRNNNO-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.71
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

4-[(nonadecylamino)methyl]phenol
CID 70039599
4-[2-(4-methylsulfanylbutylamino)ethyl]phenol
CID 103087893
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
4-[2-(octylamino)ethyl]aniline
CID 113337418
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
tris(4-octylphenol);propane
CID 90866185

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pentylamino)ethyl]phenol?
The IUPAC name of 4-[2-(pentylamino)ethyl]phenol (CID 61236551) is 4-[2-(pentylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(pentylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(pentylamino)ethyl]phenol is CCCCCNCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(pentylamino)ethyl]phenol?
The InChIKey is PPQXPGUKBRNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-4-10-14-11-9-12-5-7-13(15)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3.
What are the key properties of 4-[2-(pentylamino)ethyl]phenol?
4-[2-(pentylamino)ethyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pentylamino)ethyl]phenol is sourced from PubChem (CID 61236551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).