3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol

C22H29NO2 — CID 166338668

IUPAC3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol
SMILESCCCC(NC(CO)CC1CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-2-6-22(23-19(16-24)15-17-9-10-17)18-11-13-21(14-12-18)25-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,22-24H,2,6,9-10,15-16H2,1H3
InChIKeyONVVBORUXYGLEI-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.07
Rot. Bonds10

About 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol

3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol (PubChem CID 166338668) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol
PubChem CID166338668
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol
SMILESCCCC(NC(CO)CC1CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-2-6-22(23-19(16-24)15-17-9-10-17)18-11-13-21(14-12-18)25-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,22-24H,2,6,9-10,15-16H2,1H3
InChIKeyONVVBORUXYGLEI-UHFFFAOYSA-N
XLogP5.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol
CID 166338701
5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one
CID 167973863
4-[1-(4-phenoxyphenyl)butylamino]adamantan-1-ol
CID 166357962
(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
CID 113352309
ethyl (3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]hexanoate
CID 102303295
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol?
The IUPAC name of 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol (CID 166338668) is 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol?
The canonical SMILES for 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol is CCCC(NC(CO)CC1CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol?
The InChIKey is ONVVBORUXYGLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-6-22(23-19(16-24)15-17-9-10-17)18-11-13-21(14-12-18)25-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,22-24H,2,6,9-10,15-16H2,1H3.
What are the key properties of 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol?
3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[1-(4-phenoxyphenyl)butylamino]propan-1-ol is sourced from PubChem (CID 166338668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).