4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol

C24H35NO3 — CID 90229960

IUPAC4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol
SMILESCNCCC(Oc1cc(CCCCO)cc(CCCCO)c1)c1ccccc1
InChIInChI=1S/C24H35NO3/c1-25-14-13-24(22-11-3-2-4-12-22)28-23-18-20(9-5-7-15-26)17-21(19-23)10-6-8-16-27/h2-4,11-12,17-19,24-27H,5-10,13-16H2,1H3
InChIKeyOXXHIEZTJAARPQ-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.05
Rot. Bonds14

About 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol

4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol (PubChem CID 90229960) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol
PubChem CID90229960
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol
SMILESCNCCC(Oc1cc(CCCCO)cc(CCCCO)c1)c1ccccc1
InChIInChI=1S/C24H35NO3/c1-25-14-13-24(22-11-3-2-4-12-22)28-23-18-20(9-5-7-15-26)17-21(19-23)10-6-8-16-27/h2-4,11-12,17-19,24-27H,5-10,13-16H2,1H3
InChIKeyOXXHIEZTJAARPQ-UHFFFAOYSA-N
XLogP4.05
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol
CID 90229708
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
decanoic acid;N-methyl-3-phenyl-3-(3-propylphenoxy)propan-1-amine
CID 10253513
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
[3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate
CID 138560407
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
but-2-enedioic acid;3-(4-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 67862670
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol?
The IUPAC name of 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol (CID 90229960) is 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol.
What is the SMILES notation for 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol?
The canonical SMILES for 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol is CNCCC(Oc1cc(CCCCO)cc(CCCCO)c1)c1ccccc1.
What is the InChIKey of 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol?
The InChIKey is OXXHIEZTJAARPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-25-14-13-24(22-11-3-2-4-12-22)28-23-18-20(9-5-7-15-26)17-21(19-23)10-6-8-16-27/h2-4,11-12,17-19,24-27H,5-10,13-16H2,1H3.
What are the key properties of 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol?
4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol has a molecular weight of 385.55 g/mol, XLogP of 4.05, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxybutyl)-5-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol is sourced from PubChem (CID 90229960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).