1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol

C14H21NO2 — CID 112742137

IUPAC1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol
SMILESO[C@H](CCNCC1(O)CCC1)c1ccccc1
InChIInChI=1S/C14H21NO2/c16-13(12-5-2-1-3-6-12)7-10-15-11-14(17)8-4-9-14/h1-3,5-6,13,15-17H,4,7-11H2/t13-/m1/s1
InChIKeyZGFIZVMWYHJOHA-CYBMUJFWSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds6

About 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol

1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol (PubChem CID 112742137) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol
PubChem CID112742137
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol
SMILESO[C@H](CCNCC1(O)CCC1)c1ccccc1
InChIInChI=1S/C14H21NO2/c16-13(12-5-2-1-3-6-12)7-10-15-11-14(17)8-4-9-14/h1-3,5-6,13,15-17H,4,7-11H2/t13-/m1/s1
InChIKeyZGFIZVMWYHJOHA-CYBMUJFWSA-N
XLogP1.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
CID 107876214
1-[(2-phenylsulfanylethylamino)methyl]cycloheptan-1-ol
CID 60710821
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111969619
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol
CID 113293779
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108572
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
(1S)-1-phenylpent-4-yn-1-ol
CID 174532036

Frequently Asked Questions

What is the IUPAC name of 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol (CID 112742137) is 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol is O[C@H](CCNCC1(O)CCC1)c1ccccc1.
What is the InChIKey of 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is ZGFIZVMWYHJOHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13(12-5-2-1-3-6-12)7-10-15-11-14(17)8-4-9-14/h1-3,5-6,13,15-17H,4,7-11H2/t13-/m1/s1.
What are the key properties of 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol?
1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 112742137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).