5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol

C15H23NO3 — CID 102864148

IUPAC5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
SMILESCC(O)c1ccc(N(CCCO)C2CCC2)cc1O
InChIInChI=1S/C15H23NO3/c1-11(18)14-7-6-13(10-15(14)19)16(8-3-9-17)12-4-2-5-12/h6-7,10-12,17-19H,2-5,8-9H2,1H3
InChIKeyQBCCRTKTDONJEG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.19
Rot. Bonds6

About 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol

5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol (PubChem CID 102864148) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
PubChem CID102864148
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
SMILESCC(O)c1ccc(N(CCCO)C2CCC2)cc1O
InChIInChI=1S/C15H23NO3/c1-11(18)14-7-6-13(10-15(14)19)16(8-3-9-17)12-4-2-5-12/h6-7,10-12,17-19H,2-5,8-9H2,1H3
InChIKeyQBCCRTKTDONJEG-UHFFFAOYSA-N
XLogP2.19
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol
CID 102864101
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
3-[cyclobutyl(3-hydroxypropyl)amino]-4-[(1S)-1-hydroxyethyl]benzonitrile
CID 102864207
1-[2-bromo-4-[butyl(cyclopropyl)amino]phenyl]ethanol
CID 114069706
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
3-[cyclobutyl-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864161
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
CID 102859413
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol
CID 78992152
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol?
The IUPAC name of 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol (CID 102864148) is 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol.
What is the SMILES notation for 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol?
The canonical SMILES for 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol is CC(O)c1ccc(N(CCCO)C2CCC2)cc1O.
What is the InChIKey of 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol?
The InChIKey is QBCCRTKTDONJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(18)14-7-6-13(10-15(14)19)16(8-3-9-17)12-4-2-5-12/h6-7,10-12,17-19H,2-5,8-9H2,1H3.
What are the key properties of 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol?
5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol has a molecular weight of 265.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol is sourced from PubChem (CID 102864148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).