(2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol

C15H23NO — CID 99603211

IUPAC(2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol
SMILESC[C@@H](O)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C
InChIInChI=1S/C15H23NO/c1-11(17)10-16-14-9-13(15(14,2)3)12-7-5-4-6-8-12/h4-8,11,13-14,16-17H,9-10H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyOKHGITDXBGVGTH-XBFCOCLRSA-N
MW233.36 g/mol
LogP2.54
Rot. Bonds4

About (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol

(2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol (PubChem CID 99603211) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol
PubChem CID99603211
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol
SMILESC[C@@H](O)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C
InChIInChI=1S/C15H23NO/c1-11(17)10-16-14-9-13(15(14,2)3)12-7-5-4-6-8-12/h4-8,11,13-14,16-17H,9-10H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyOKHGITDXBGVGTH-XBFCOCLRSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol (CID 99603211) is (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol is C[C@@H](O)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C.
What is the InChIKey of (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol?
The InChIKey is OKHGITDXBGVGTH-XBFCOCLRSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(17)10-16-14-9-13(15(14,2)3)12-7-5-4-6-8-12/h4-8,11,13-14,16-17H,9-10H2,1-3H3/t11-,13+,14+/m1/s1.
What are the key properties of (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol?
(2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol is sourced from PubChem (CID 99603211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).