(1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol

C16H25NO2 — CID 58027663

IUPAC(1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol
SMILESC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-12(10-17)16(18)14-7-4-8-15(9-14)19-11-13-5-2-3-6-13/h4,7-9,12-13,16,18H,2-3,5-6,10-11,17H2,1H3/t12-,16-/m1/s1
InChIKeyBZXJLLLGXRHNCJ-MLGOLLRUSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds6

About (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol

(1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol (PubChem CID 58027663) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol
PubChem CID58027663
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol
SMILESC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-12(10-17)16(18)14-7-4-8-15(9-14)19-11-13-5-2-3-6-13/h4,7-9,12-13,16,18H,2-3,5-6,10-11,17H2,1H3/t12-,16-/m1/s1
InChIKeyBZXJLLLGXRHNCJ-MLGOLLRUSA-N
XLogP2.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol?
The IUPAC name of (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol (CID 58027663) is (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol is C[C@H](CN)[C@@H](O)c1cccc(OCC2CCCC2)c1.
What is the InChIKey of (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol?
The InChIKey is BZXJLLLGXRHNCJ-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(10-17)16(18)14-7-4-8-15(9-14)19-11-13-5-2-3-6-13/h4,7-9,12-13,16,18H,2-3,5-6,10-11,17H2,1H3/t12-,16-/m1/s1.
What are the key properties of (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol?
(1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-amino-1-[3-(cyclopentylmethoxy)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 58027663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).