(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol

C22H36N2O4 — CID 7454139

IUPAC(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESO[C@H](CNC1CCCC1)COc1ccc(OC[C@H](O)CNC2CCCC2)cc1
InChIInChI=1S/C22H36N2O4/c25-19(13-23-17-5-1-2-6-17)15-27-21-9-11-22(12-10-21)28-16-20(26)14-24-18-7-3-4-8-18/h9-12,17-20,23-26H,1-8,13-16H2/t19-,20-/m1/s1
InChIKeyGSQKLKJBOOBZPJ-WOJBJXKFSA-N
MW392.54 g/mol
LogP2.23
Rot. Bonds12

About (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol

(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol (PubChem CID 7454139) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
PubChem CID7454139
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESO[C@H](CNC1CCCC1)COc1ccc(OC[C@H](O)CNC2CCCC2)cc1
InChIInChI=1S/C22H36N2O4/c25-19(13-23-17-5-1-2-6-17)15-27-21-9-11-22(12-10-21)28-16-20(26)14-24-18-7-3-4-8-18/h9-12,17-20,23-26H,1-8,13-16H2/t19-,20-/m1/s1
InChIKeyGSQKLKJBOOBZPJ-WOJBJXKFSA-N
XLogP2.23
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 60904310
1-[2-(4-bromophenoxy)ethoxy]-3-(cyclohexylamino)propan-2-ol
CID 11835432
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol (CID 7454139) is (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol is O[C@H](CNC1CCCC1)COc1ccc(OC[C@H](O)CNC2CCCC2)cc1.
What is the InChIKey of (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The InChIKey is GSQKLKJBOOBZPJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H36N2O4/c25-19(13-23-17-5-1-2-6-17)15-27-21-9-11-22(12-10-21)28-16-20(26)14-24-18-7-3-4-8-18/h9-12,17-20,23-26H,1-8,13-16H2/t19-,20-/m1/s1.
What are the key properties of (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol has a molecular weight of 392.54 g/mol, XLogP of 2.23, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol is sourced from PubChem (CID 7454139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).