(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol

C24H33NO2 — CID 46196242

IUPAC(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(OC3CCC(C4CCCC4)CC3)ccc2c1
InChIInChI=1S/C24H33NO2/c1-24(25,16-26)21-10-6-20-15-23(13-9-19(20)14-21)27-22-11-7-18(8-12-22)17-4-2-3-5-17/h6,9-10,13-15,17-18,22,26H,2-5,7-8,11-12,16,25H2,1H3/t18?,22?,24-/m0/s1
InChIKeyXOTWURBGJYFORK-RWRPHHHKSA-N
MW367.53 g/mol
LogP5.13
Rot. Bonds5

About (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196242) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196242
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(OC3CCC(C4CCCC4)CC3)ccc2c1
InChIInChI=1S/C24H33NO2/c1-24(25,16-26)21-10-6-20-15-23(13-9-19(20)14-21)27-22-11-7-18(8-12-22)17-4-2-3-5-17/h6,9-10,13-15,17-18,22,26H,2-5,7-8,11-12,16,25H2,1H3/t18?,22?,24-/m0/s1
InChIKeyXOTWURBGJYFORK-RWRPHHHKSA-N
XLogP5.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol (CID 46196242) is (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2cc(OC3CCC(C4CCCC4)CC3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is XOTWURBGJYFORK-RWRPHHHKSA-N. The full InChI is InChI=1S/C24H33NO2/c1-24(25,16-26)21-10-6-20-15-23(13-9-19(20)14-21)27-22-11-7-18(8-12-22)17-4-2-3-5-17/h6,9-10,13-15,17-18,22,26H,2-5,7-8,11-12,16,25H2,1H3/t18?,22?,24-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 367.53 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).