1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol

C16H25NO2 — CID 102864135

IUPAC1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(CCCO)C1CCC1
InChIInChI=1S/C16H25NO2/c1-2-16(19)14-9-3-4-10-15(14)17(11-6-12-18)13-7-5-8-13/h3-4,9-10,13,16,18-19H,2,5-8,11-12H2,1H3
InChIKeyGXGQUVXIVUUSAU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds7

About 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol

1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol (PubChem CID 102864135) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
PubChem CID102864135
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(CCCO)C1CCC1
InChIInChI=1S/C16H25NO2/c1-2-16(19)14-9-3-4-10-15(14)17(11-6-12-18)13-7-5-8-13/h3-4,9-10,13,16,18-19H,2,5-8,11-12H2,1H3
InChIKeyGXGQUVXIVUUSAU-UHFFFAOYSA-N
XLogP2.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723
3-[N-cyclopropyl-2-[(1R)-1-hydroxypropyl]anilino]propanenitrile
CID 113358991
2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol
CID 102864690
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
CID 112678034
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
3-(N-cyclobutyl-2-nitroanilino)propan-1-ol
CID 102846754

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol (CID 102864135) is 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol is CCC(O)c1ccccc1N(CCCO)C1CCC1.
What is the InChIKey of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol?
The InChIKey is GXGQUVXIVUUSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-16(19)14-9-3-4-10-15(14)17(11-6-12-18)13-7-5-8-13/h3-4,9-10,13,16,18-19H,2,5-8,11-12H2,1H3.
What are the key properties of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol?
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 102864135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).