1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

C18H29NO2 — CID 63867829

IUPAC1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESCC1CCCCC1OCC(O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14-8-6-7-11-18(14)21-13-17(20)12-19-15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17-20H,6-8,11-13H2,1-2H3/t14?,15-,17?,18?/m1/s1
InChIKeyGMWSVMBKSODRPK-YCPQDUGXSA-N
MW291.44 g/mol
LogP3.29
Rot. Bonds7

About 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (PubChem CID 63867829) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
PubChem CID63867829
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESCC1CCCCC1OCC(O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14-8-6-7-11-18(14)21-13-17(20)12-19-15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17-20H,6-8,11-13H2,1-2H3/t14?,15-,17?,18?/m1/s1
InChIKeyGMWSVMBKSODRPK-YCPQDUGXSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-(2,6-dimethylanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62332087
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
CID 113477406
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81409866

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (CID 63867829) is 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is CC1CCCCC1OCC(O)CN[C@H](C)c1ccccc1.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is GMWSVMBKSODRPK-YCPQDUGXSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-8-6-7-11-18(14)21-13-17(20)12-19-15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17-20H,6-8,11-13H2,1-2H3/t14?,15-,17?,18?/m1/s1.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 63867829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).