2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol

C14H23NO2 — CID 107303108

IUPAC2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NCCCCCO)c(O)c1
InChIInChI=1S/C14H23NO2/c1-11-6-7-13(14(17)10-11)12(2)15-8-4-3-5-9-16/h6-7,10,12,15-17H,3-5,8-9H2,1-2H3
InChIKeyWRLHGXBREFBWSA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds7

About 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol

2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol (PubChem CID 107303108) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
PubChem CID107303108
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NCCCCCO)c(O)c1
InChIInChI=1S/C14H23NO2/c1-11-6-7-13(14(17)10-11)12(2)15-8-4-3-5-9-16/h6-7,10,12,15-17H,3-5,8-9H2,1-2H3
InChIKeyWRLHGXBREFBWSA-UHFFFAOYSA-N
XLogP2.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616
5-methyl-2-[1-(6-methylsulfanylhexylamino)ethyl]phenol
CID 104584212
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
CID 43205853
decan-1-ol;5-methyl-2-propan-2-ylphenol
CID 158013264
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]ethyl]-5-methylphenol
CID 104581513
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol (CID 107303108) is 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol is Cc1ccc(C(C)NCCCCCO)c(O)c1.
What is the InChIKey of 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol?
The InChIKey is WRLHGXBREFBWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-6-7-13(14(17)10-11)12(2)15-8-4-3-5-9-16/h6-7,10,12,15-17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol?
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol is sourced from PubChem (CID 107303108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).