4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol

C17H29NO2 — CID 104861989

IUPAC4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol
SMILESCCC(CC)C(O)CNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H29NO2/c1-4-15(5-2)17(20)12-18-13(3)6-7-14-8-10-16(19)11-9-14/h8-11,13,15,17-20H,4-7,12H2,1-3H3
InChIKeyDUKQSDAPXYLMOZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.10
Rot. Bonds9

About 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol

4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol (PubChem CID 104861989) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol
PubChem CID104861989
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol
SMILESCCC(CC)C(O)CNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H29NO2/c1-4-15(5-2)17(20)12-18-13(3)6-7-14-8-10-16(19)11-9-14/h8-11,13,15,17-20H,4-7,12H2,1-3H3
InChIKeyDUKQSDAPXYLMOZ-UHFFFAOYSA-N
XLogP3.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
3-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanenitrile
CID 62646914
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
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-[(1-ethylcyclopropyl)methylamino]butyl]phenol
CID 104862215
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol?
The IUPAC name of 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol (CID 104861989) is 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol is CCC(CC)C(O)CNC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol?
The InChIKey is DUKQSDAPXYLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-15(5-2)17(20)12-18-13(3)6-7-14-8-10-16(19)11-9-14/h8-11,13,15,17-20H,4-7,12H2,1-3H3.
What are the key properties of 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol?
4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol has a molecular weight of 279.42 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol is sourced from PubChem (CID 104861989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).