5-ethyl-2-(pentylamino)phenol

C13H21NO — CID 70255943

IUPAC5-ethyl-2-(pentylamino)phenol
SMILESCCCCCNc1ccc(CC)cc1O
InChIInChI=1S/C13H21NO/c1-3-5-6-9-14-12-8-7-11(4-2)10-13(12)15/h7-8,10,14-15H,3-6,9H2,1-2H3
InChIKeyPUIQBJSUAOXTPG-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.56
Rot. Bonds6

About 5-ethyl-2-(pentylamino)phenol

5-ethyl-2-(pentylamino)phenol (PubChem CID 70255943) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-ethyl-2-(pentylamino)phenol.

Molecular Properties

Compound Name5-ethyl-2-(pentylamino)phenol
PubChem CID70255943
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-ethyl-2-(pentylamino)phenol
SMILESCCCCCNc1ccc(CC)cc1O
InChIInChI=1S/C13H21NO/c1-3-5-6-9-14-12-8-7-11(4-2)10-13(12)15/h7-8,10,14-15H,3-6,9H2,1-2H3
InChIKeyPUIQBJSUAOXTPG-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecylamino)phenol
CID 154256819
3-hydroxy-4-(octylamino)benzoic acid
CID 22040304
4-ethyl-2-(propylamino)phenol
CID 141451403
2,5-dimethyl-4-(pentylamino)phenol
CID 106953723
2,3-bis(octylamino)phenol
CID 67224440
4-(methylamino)-3-(pentylamino)benzoic acid
CID 18929721
5-(dodecylamino)naphthalen-1-ol
CID 11438841
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
4-bromo-2-ethyl-N-heptylaniline
CID 81292359
2,3,4-triiodo-N-pentylaniline
CID 173038518
2,4-difluoro-N-nonylaniline
CID 43129325
2,4-dichloro-N-decylaniline
CID 63489638

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(pentylamino)phenol?
The IUPAC name of 5-ethyl-2-(pentylamino)phenol (CID 70255943) is 5-ethyl-2-(pentylamino)phenol.
What is the SMILES notation for 5-ethyl-2-(pentylamino)phenol?
The canonical SMILES for 5-ethyl-2-(pentylamino)phenol is CCCCCNc1ccc(CC)cc1O.
What is the InChIKey of 5-ethyl-2-(pentylamino)phenol?
The InChIKey is PUIQBJSUAOXTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-6-9-14-12-8-7-11(4-2)10-13(12)15/h7-8,10,14-15H,3-6,9H2,1-2H3.
What are the key properties of 5-ethyl-2-(pentylamino)phenol?
5-ethyl-2-(pentylamino)phenol has a molecular weight of 207.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(pentylamino)phenol is sourced from PubChem (CID 70255943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).