4-[3-(2-hydroxybutylamino)butyl]phenol

C14H23NO2 — CID 113492026

IUPAC4-[3-(2-hydroxybutylamino)butyl]phenol
SMILESCCC(O)CNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-3-13(16)10-15-11(2)4-5-12-6-8-14(17)9-7-12/h6-9,11,13,15-17H,3-5,10H2,1-2H3
InChIKeyIWNBLGDBWUIJAI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.07
Rot. Bonds7

About 4-[3-(2-hydroxybutylamino)butyl]phenol

4-[3-(2-hydroxybutylamino)butyl]phenol (PubChem CID 113492026) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[3-(2-hydroxybutylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(2-hydroxybutylamino)butyl]phenol
PubChem CID113492026
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[3-(2-hydroxybutylamino)butyl]phenol
SMILESCCC(O)CNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-3-13(16)10-15-11(2)4-5-12-6-8-14(17)9-7-12/h6-9,11,13,15-17H,3-5,10H2,1-2H3
InChIKeyIWNBLGDBWUIJAI-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol
CID 104861989
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
3-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanenitrile
CID 62646914
4-[3-(2-methylsulfinylpropylamino)butyl]phenol
CID 113470908
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxybutylamino)butyl]phenol?
The IUPAC name of 4-[3-(2-hydroxybutylamino)butyl]phenol (CID 113492026) is 4-[3-(2-hydroxybutylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(2-hydroxybutylamino)butyl]phenol?
The canonical SMILES for 4-[3-(2-hydroxybutylamino)butyl]phenol is CCC(O)CNC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(2-hydroxybutylamino)butyl]phenol?
The InChIKey is IWNBLGDBWUIJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-13(16)10-15-11(2)4-5-12-6-8-14(17)9-7-12/h6-9,11,13,15-17H,3-5,10H2,1-2H3.
What are the key properties of 4-[3-(2-hydroxybutylamino)butyl]phenol?
4-[3-(2-hydroxybutylamino)butyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxybutylamino)butyl]phenol is sourced from PubChem (CID 113492026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).