4-[4-(butylamino)butoxy]phenol

C14H23NO2 — CID 54220189

IUPAC4-[4-(butylamino)butoxy]phenol
SMILESCCCCNCCCCOc1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-2-3-10-15-11-4-5-12-17-14-8-6-13(16)7-9-14/h6-9,15-16H,2-5,10-12H2,1H3
InChIKeyYFJOWNZGPHQOKC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.94
Rot. Bonds9

About 4-[4-(butylamino)butoxy]phenol

4-[4-(butylamino)butoxy]phenol (PubChem CID 54220189) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[4-(butylamino)butoxy]phenol.

Molecular Properties

Compound Name4-[4-(butylamino)butoxy]phenol
PubChem CID54220189
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[4-(butylamino)butoxy]phenol
SMILESCCCCNCCCCOc1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-2-3-10-15-11-4-5-12-17-14-8-6-13(16)7-9-14/h6-9,15-16H,2-5,10-12H2,1H3
InChIKeyYFJOWNZGPHQOKC-UHFFFAOYSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-octadecoxyphenol
CID 22179059
4-[(pentylamino)methoxy]phenol
CID 144616890
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
N-butyl-4-(4-iodophenoxy)butan-1-amine
CID 2247309
4-(4-tetradecoxyanilino)phenol
CID 174780996
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
1,4-dibutoxybenzene;phenol
CID 174756360
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015

Frequently Asked Questions

What is the IUPAC name of 4-[4-(butylamino)butoxy]phenol?
The IUPAC name of 4-[4-(butylamino)butoxy]phenol (CID 54220189) is 4-[4-(butylamino)butoxy]phenol.
What is the SMILES notation for 4-[4-(butylamino)butoxy]phenol?
The canonical SMILES for 4-[4-(butylamino)butoxy]phenol is CCCCNCCCCOc1ccc(O)cc1.
What is the InChIKey of 4-[4-(butylamino)butoxy]phenol?
The InChIKey is YFJOWNZGPHQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-10-15-11-4-5-12-17-14-8-6-13(16)7-9-14/h6-9,15-16H,2-5,10-12H2,1H3.
What are the key properties of 4-[4-(butylamino)butoxy]phenol?
4-[4-(butylamino)butoxy]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(butylamino)butoxy]phenol is sourced from PubChem (CID 54220189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).