(2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol

C23H33NO2 — CID 10882790

IUPAC(2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol
SMILESCCCCN[C@@H](COCCCC)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2/c1-3-5-17-24-22(19-26-18-6-4-2)23(25,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22,24-25H,3-6,17-19H2,1-2H3/t22-/m0/s1
InChIKeyHOFDLMYJUDIGJM-QFIPXVFZSA-N
MW355.52 g/mol
LogP4.50
Rot. Bonds12

About (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol

(2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol (PubChem CID 10882790) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol
PubChem CID10882790
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name(2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol
SMILESCCCCN[C@@H](COCCCC)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2/c1-3-5-17-24-22(19-26-18-6-4-2)23(25,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22,24-25H,3-6,17-19H2,1-2H3/t22-/m0/s1
InChIKeyHOFDLMYJUDIGJM-QFIPXVFZSA-N
XLogP4.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxybutane;3,3,3-trichloro-2-methyl-1-phenylpropane-1,1-diol
CID 174671316
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(2R)-1-octoxy-3-trityloxypropan-2-ol
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1-butoxy-3-phenylsulfanylpropan-2-ol
CID 12063877
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
methyl (2S)-3-octoxy-2-(tritylamino)propanoate
CID 10863686
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604
(2S)-3-hexadecoxy-2-tritylsulfanylpropan-1-ol
CID 10698369
N-[(2R)-1-butoxypropan-2-yl]benzamide
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3-butoxy-2-(dibenzylamino)propan-1-ol
CID 163833677

Frequently Asked Questions

What is the IUPAC name of (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol?
The IUPAC name of (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol (CID 10882790) is (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol.
What is the SMILES notation for (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol?
The canonical SMILES for (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol is CCCCN[C@@H](COCCCC)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol?
The InChIKey is HOFDLMYJUDIGJM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H33NO2/c1-3-5-17-24-22(19-26-18-6-4-2)23(25,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22,24-25H,3-6,17-19H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol?
(2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol has a molecular weight of 355.52 g/mol, XLogP of 4.50, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-butoxy-2-(butylamino)-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 10882790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).