(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol

C23H38N2O3 — CID 42191908

IUPAC(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CNC2CCCC2)ccc1OC[C@H](O)CN(C)C1CCCCC1
InChIInChI=1S/C23H38N2O3/c1-25(20-10-4-3-5-11-20)16-21(26)17-28-22-13-12-18(14-23(22)27-2)15-24-19-8-6-7-9-19/h12-14,19-21,24,26H,3-11,15-17H2,1-2H3/t21-/m1/s1
InChIKeyBCVDODJZOAEKHH-OAQYLSRUSA-N
MW390.57 g/mol
LogP3.73
Rot. Bonds10

About (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol

(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol (PubChem CID 42191908) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
PubChem CID42191908
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CNC2CCCC2)ccc1OC[C@H](O)CN(C)C1CCCCC1
InChIInChI=1S/C23H38N2O3/c1-25(20-10-4-3-5-11-20)16-21(26)17-28-22-13-12-18(14-23(22)27-2)15-24-19-8-6-7-9-19/h12-14,19-21,24,26H,3-11,15-17H2,1-2H3/t21-/m1/s1
InChIKeyBCVDODJZOAEKHH-OAQYLSRUSA-N
XLogP3.73
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol with MolForge

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Related Compounds

1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 45251859
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97279782
1-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol
CID 45208012
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 42121468
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol
CID 45176941
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol
CID 45252406
4-[[[4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]methyl]hepta-1,6-dien-4-ol
CID 42566976
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45203324
1-[cyclohexyl(methyl)amino]-3-[4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45241948
(2R)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282788
(2S)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282784
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211468

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol (CID 42191908) is (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol is COc1cc(CNC2CCCC2)ccc1OC[C@H](O)CN(C)C1CCCCC1.
What is the InChIKey of (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The InChIKey is BCVDODJZOAEKHH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-25(20-10-4-3-5-11-20)16-21(26)17-28-22-13-12-18(14-23(22)27-2)15-24-19-8-6-7-9-19/h12-14,19-21,24,26H,3-11,15-17H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol has a molecular weight of 390.57 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 42191908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).