(1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol

C24H32FNO2 — CID 122181174

IUPAC(1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
SMILESCCN(CCCc1ccccc1)[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1O
InChIInChI=1S/C24H32FNO2/c1-2-26(16-6-9-19-7-4-3-5-8-19)23-17-22(14-15-24(23)27)28-18-20-10-12-21(25)13-11-20/h3-5,7-8,10-13,22-24,27H,2,6,9,14-18H2,1H3/t22-,23-,24-/m1/s1
InChIKeyOXDATPXDFJPRFD-WXFUMESZSA-N
MW385.52 g/mol
LogP4.58
Rot. Bonds9

About (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol

(1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol (PubChem CID 122181174) has the molecular formula C24H32FNO2 and a molecular weight of 385.52 g/mol. Its IUPAC name is (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
PubChem CID122181174
Molecular FormulaC24H32FNO2
Molecular Weight385.52 g/mol
Exact Mass385.24
IUPAC Name(1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
SMILESCCN(CCCc1ccccc1)[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1O
InChIInChI=1S/C24H32FNO2/c1-2-26(16-6-9-19-7-4-3-5-8-19)23-17-22(14-15-24(23)27)28-18-20-10-12-21(25)13-11-20/h3-5,7-8,10-13,22-24,27H,2,6,9,14-18H2,1H3/t22-,23-,24-/m1/s1
InChIKeyOXDATPXDFJPRFD-WXFUMESZSA-N
XLogP4.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol?
The IUPAC name of (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol (CID 122181174) is (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol?
The canonical SMILES for (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol is CCN(CCCc1ccccc1)[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1O.
What is the InChIKey of (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol?
The InChIKey is OXDATPXDFJPRFD-WXFUMESZSA-N. The full InChI is InChI=1S/C24H32FNO2/c1-2-26(16-6-9-19-7-4-3-5-8-19)23-17-22(14-15-24(23)27)28-18-20-10-12-21(25)13-11-20/h3-5,7-8,10-13,22-24,27H,2,6,9,14-18H2,1H3/t22-,23-,24-/m1/s1.
What are the key properties of (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol?
(1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol has a molecular weight of 385.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-[ethyl(3-phenylpropyl)amino]-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol is sourced from PubChem (CID 122181174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).